CID 91284351

C27H35FO3 — CID 91284351

IUPAC—
SMILESCC12C(=CC(=O)C3CCC31)C1(CCC1)CC1C2C(F)CC2(C)C1CCC21CCC(=O)O1
InChIInChI=1S/C27H35FO3/c1-24-14-19(28)23-16(17(24)6-10-27(24)11-7-22(30)31-27)13-26(8-3-9-26)21-12-20(29)15-4-5-18(15)25(21,23)2/h12,15-19,23H,3-11,13-14H2,1-2H3
InChIKeyCFSVYUUQJXTUNC-UHFFFAOYSA-N
MW426.57 g/mol
LogP5.57
Rot. Bonds

About CID 91284351

CID 91284351 (PubChem CID 91284351) has the molecular formula C27H35FO3 and a molecular weight of 426.57 g/mol.

Molecular Properties

Compound NameCID 91284351
PubChem CID91284351
Molecular FormulaC27H35FO3
Molecular Weight426.57 g/mol
Exact Mass426.26
IUPAC Name—
SMILESCC12C(=CC(=O)C3CCC31)C1(CCC1)CC1C2C(F)CC2(C)C1CCC21CCC(=O)O1
InChIInChI=1S/C27H35FO3/c1-24-14-19(28)23-16(17(24)6-10-27(24)11-7-22(30)31-27)13-26(8-3-9-26)21-12-20(29)15-4-5-18(15)25(21,23)2/h12,15-19,23H,3-11,13-14H2,1-2H3
InChIKeyCFSVYUUQJXTUNC-UHFFFAOYSA-N
XLogP5.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 46241821
CID 46241821
CID 91064608
CID 91064608
22-fluoro-2,20-dimethylspiro[hexacyclo[12.8.0.02,8.03,5.015,20.016,18]docos-7-ene-19,5'-oxolane]-2',6-dione
CID 90857915
11-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 21133122
(1R,2S,8R,10S,11S,12S,15R,16S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadec-6-ene-15,5'-oxolane]-2',5-dione
CID 59067657
(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione
CID 59896837
(10R,13S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 18594033
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7076287
(8R,9S,10S,13R,14R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 11888958
(1R,14R)-2,15-dimethylspiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,5'-oxolane]-2',5-dione
CID 59100398
(14R)-2,15-dimethylspiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,5'-oxolane]-2',5-dione
CID 59936873
(10R,13S,17R)-13-methyl-6-methylidenespiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 88984992

Frequently Asked Questions

What is the IUPAC name of CID 91284351?
The IUPAC name of CID 91284351 (CID 91284351) is not available.
What is the SMILES notation for CID 91284351?
The canonical SMILES for CID 91284351 is CC12C(=CC(=O)C3CCC31)C1(CCC1)CC1C2C(F)CC2(C)C1CCC21CCC(=O)O1.
What is the InChIKey of CID 91284351?
The InChIKey is CFSVYUUQJXTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FO3/c1-24-14-19(28)23-16(17(24)6-10-27(24)11-7-22(30)31-27)13-26(8-3-9-26)21-12-20(29)15-4-5-18(15)25(21,23)2/h12,15-19,23H,3-11,13-14H2,1-2H3.
What are the key properties of CID 91284351?
CID 91284351 has a molecular weight of 426.57 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91284351 is sourced from PubChem (CID 91284351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).