5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one

C18H22O — CID 89471715

IUPAC5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
SMILESO=C1CC2c3ccccc3CCC2C2CCCCC12
InChIInChI=1S/C18H22O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-2,5-6,14-17H,3-4,7-11H2
InChIKeyOEPCRJDOKZORCJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.11
Rot. Bonds

About 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one

5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one (PubChem CID 89471715) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one.

Molecular Properties

Compound Name5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
PubChem CID89471715
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
SMILESO=C1CC2c3ccccc3CCC2C2CCCCC12
InChIInChI=1S/C18H22O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-2,5-6,14-17H,3-4,7-11H2
InChIKeyOEPCRJDOKZORCJ-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Phenylcyclohexanone
CID 273661
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CID 92021
4-Phenylcyclohexanone
CID 78605
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3-Deoxyestrone
CID 5882
Cyclozonarone
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Bianthrone
CID 67948

Frequently Asked Questions

What is the IUPAC name of 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one?
The IUPAC name of 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one (CID 89471715) is 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one.
What is the SMILES notation for 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one?
The canonical SMILES for 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one is O=C1CC2c3ccccc3CCC2C2CCCCC12.
What is the InChIKey of 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one?
The InChIKey is OEPCRJDOKZORCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-2,5-6,14-17H,3-4,7-11H2.
What are the key properties of 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one?
5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one has a molecular weight of 254.37 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one is sourced from PubChem (CID 89471715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).