(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one

C15H22O2 — CID 166445408

IUPAC(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one
SMILESCC1(C)C[C@H]2[C@@H](C1)C1=CC(=O)CC[C@]1(C)[C@H]2O
InChIInChI=1S/C15H22O2/c1-14(2)7-10-11(8-14)13(17)15(3)5-4-9(16)6-12(10)15/h6,10-11,13,17H,4-5,7-8H2,1-3H3/t10-,11+,13+,15+/m1/s1
InChIKeyVZCLJYVGLVACTO-MPXAEWJHSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one

(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one (PubChem CID 166445408) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one.

Molecular Properties

Compound Name(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one
PubChem CID166445408
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one
SMILESCC1(C)C[C@H]2[C@@H](C1)C1=CC(=O)CC[C@]1(C)[C@H]2O
InChIInChI=1S/C15H22O2/c1-14(2)7-10-11(8-14)13(17)15(3)5-4-9(16)6-12(10)15/h6,10-11,13,17H,4-5,7-8H2,1-3H3/t10-,11+,13+,15+/m1/s1
InChIKeyVZCLJYVGLVACTO-MPXAEWJHSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one with MolForge

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Related Compounds

Chondrosterin A
CID 56962379
Rhodocorane K
CID 156017766
Periconicin A
CID 10471036
Bldkdcbsdhbtfv-bbizwxpbsa-
CID 10610694
(1S,2S,3aS,9E,12Z)-2-hydroxy-3a,10-dimethyl-6-methylidene-1-propan-2-yl-2,3,4,7,8,11-hexahydro-1H-cyclopenta[11]annulen-5-one
CID 16091540
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 15601421
3-Hydroxysolavetivone
CID 15601422
Periconicin B
CID 10065355
(1S,2R,4S,5S)-2-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-en-7-one
CID 10633587
15alpha-Hydroxy-14-aldehyde probotryan-4
CID 21778025
(1R,3S,4R,5R,7S,8E)-5-hydroxy-12-(1-hydroxypropan-2-yl)-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-8,11-diene-8-carbaldehyde
CID 139583870
Cucumin F
CID 10752178

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one?
The IUPAC name of (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one (CID 166445408) is (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one.
What is the SMILES notation for (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one?
The canonical SMILES for (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one is CC1(C)C[C@H]2[C@@H](C1)C1=CC(=O)CC[C@]1(C)[C@H]2O.
What is the InChIKey of (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one?
The InChIKey is VZCLJYVGLVACTO-MPXAEWJHSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)7-10-11(8-14)13(17)15(3)5-4-9(16)6-12(10)15/h6,10-11,13,17H,4-5,7-8H2,1-3H3/t10-,11+,13+,15+/m1/s1.
What are the key properties of (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one?
(3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,4aS,8bR)-4-hydroxy-2,2,4a-trimethyl-3,3a,4,5,6,8b-hexahydro-1H-cyclopenta[a]inden-7-one is sourced from PubChem (CID 166445408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).