Molecule FYI-1006979

Home > Molecule

A

Molecule Summary:

ID: FYI-1006979
Names:
InChIKey: BRHDDEIRQPDPMG-UHFFFAOYSA-N
SMILES: C=CC1(C)CCC(C(C)(C)O)O1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006979 Edit

Molecule Structure InChIKey: BRHDDEIRQPDPMG-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC1(C)CCC(C(C)(C)O)O1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006979
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.7368    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    3.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    2.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962    2.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267    0.1924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    2.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    1.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006979-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
    0.4030    0.5605    0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214   -0.2729    1.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435   -0.0117   -0.5964 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5338   -0.3367    0.2088 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3335   -1.4934   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767   -1.4818   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910    0.2830    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -0.8206    1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320   -0.3442   -0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124    1.7916    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    0.4113   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493    1.7149   -0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5736    0.4493   -1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765   -1.9636   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653   -2.0497    0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -2.4419   -0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5007   -1.2636   -1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679   -1.5173    1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    0.0232    2.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -1.3216    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016   -0.1015   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353    0.0114   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699   -1.4377   -0.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561    2.2521    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    1.9984    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    2.2938   -0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735   -0.1451   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    0.1125    1.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692    2.1871   -0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8716    2.3462   -0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 205👍, 0💬