11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol

C19H28O — CID 143969967

IUPAC11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol
SMILESCC1CCCC2c3ccc(O)cc3CCC2C(C)CC1
InChIInChI=1S/C19H28O/c1-13-4-3-5-19-17(14(2)7-6-13)10-8-15-12-16(20)9-11-18(15)19/h9,11-14,17,19-20H,3-8,10H2,1-2H3
InChIKeyISBUTNRGOPYIQD-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.27
Rot. Bonds

About 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol

11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol (PubChem CID 143969967) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol.

Molecular Properties

Compound Name11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol
PubChem CID143969967
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol
SMILESCC1CCCC2c3ccc(O)cc3CCC2C(C)CC1
InChIInChI=1S/C19H28O/c1-13-4-3-5-19-17(14(2)7-6-13)10-8-15-12-16(20)9-11-18(15)19/h9,11-14,17,19-20H,3-8,10H2,1-2H3
InChIKeyISBUTNRGOPYIQD-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7048596
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
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Frequently Asked Questions

What is the IUPAC name of 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol?
The IUPAC name of 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol (CID 143969967) is 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol.
What is the SMILES notation for 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol?
The canonical SMILES for 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol is CC1CCCC2c3ccc(O)cc3CCC2C(C)CC1.
What is the InChIKey of 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol?
The InChIKey is ISBUTNRGOPYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-13-4-3-5-19-17(14(2)7-6-13)10-8-15-12-16(20)9-11-18(15)19/h9,11-14,17,19-20H,3-8,10H2,1-2H3.
What are the key properties of 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol?
11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol has a molecular weight of 272.43 g/mol, XLogP of 5.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dimethyltricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-5-ol is sourced from PubChem (CID 143969967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).