7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one

C20H32O3 — CID 163107626

IUPAC7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one
SMILESCC1CC2C(CCC(C)(O)C=CCC(C)(O)C=CC1=O)C2(C)C
InChIInChI=1S/C20H32O3/c1-14-13-16-15(18(16,2)3)7-11-19(4,22)9-6-10-20(5,23)12-8-17(14)21/h6,8-9,12,14-16,22-23H,7,10-11,13H2,1-5H3
InChIKeyBRQTWDVIOBUNHX-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.65
Rot. Bonds

About 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one

7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one (PubChem CID 163107626) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one.

Molecular Properties

Compound Name7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one
PubChem CID163107626
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one
SMILESCC1CC2C(CCC(C)(O)C=CCC(C)(O)C=CC1=O)C2(C)C
InChIInChI=1S/C20H32O3/c1-14-13-16-15(18(16,2)3)7-11-19(4,22)9-6-10-20(5,23)12-8-17(14)21/h6,8-9,12,14-16,22-23H,7,10-11,13H2,1-5H3
InChIKeyBRQTWDVIOBUNHX-UHFFFAOYSA-N
XLogP3.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 14179
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CID 87521433
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1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
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3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
(6S,8R,9S,10S,11S,13S,14R,17S)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 124918633

Frequently Asked Questions

What is the IUPAC name of 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one?
The IUPAC name of 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one (CID 163107626) is 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one.
What is the SMILES notation for 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one?
The canonical SMILES for 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one is CC1CC2C(CCC(C)(O)C=CCC(C)(O)C=CC1=O)C2(C)C.
What is the InChIKey of 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one?
The InChIKey is BRQTWDVIOBUNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-14-13-16-15(18(16,2)3)7-11-19(4,22)9-6-10-20(5,23)12-8-17(14)21/h6,8-9,12,14-16,22-23H,7,10-11,13H2,1-5H3.
What are the key properties of 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one?
7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one has a molecular weight of 320.47 g/mol, XLogP of 3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one is sourced from PubChem (CID 163107626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).