(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one

C12H18O2 — CID 130204225

IUPAC(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one
SMILESC[C@@H]1C2CC(CC(=O)/C=C\C2O)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-7-8(2)11-6-9(7)5-10(13)3-4-12(11)14/h3-4,7-9,11-12,14H,5-6H2,1-2H3/b4-3-/t7-,8+,9?,11?,12?/m1/s1
InChIKeyOOWLGUCQCQQNFK-ZCJYDURESA-N
MW194.27 g/mol
LogP1.78
Rot. Bonds

About (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one

(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one (PubChem CID 130204225) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one.

Molecular Properties

Compound Name(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one
PubChem CID130204225
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one
SMILESC[C@@H]1C2CC(CC(=O)/C=C\C2O)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-7-8(2)11-6-9(7)5-10(13)3-4-12(11)14/h3-4,7-9,11-12,14H,5-6H2,1-2H3/b4-3-/t7-,8+,9?,11?,12?/m1/s1
InChIKeyOOWLGUCQCQQNFK-ZCJYDURESA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one?
The IUPAC name of (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one (CID 130204225) is (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one.
What is the SMILES notation for (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one?
The canonical SMILES for (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one is C[C@@H]1C2CC(CC(=O)/C=C\C2O)[C@@H]1C.
What is the InChIKey of (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one?
The InChIKey is OOWLGUCQCQQNFK-ZCJYDURESA-N. The full InChI is InChI=1S/C12H18O2/c1-7-8(2)11-6-9(7)5-10(13)3-4-12(11)14/h3-4,7-9,11-12,14H,5-6H2,1-2H3/b4-3-/t7-,8+,9?,11?,12?/m1/s1.
What are the key properties of (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one?
(4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one has a molecular weight of 194.27 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8S,9S)-6-hydroxy-8,9-dimethylbicyclo[5.2.1]dec-4-en-3-one is sourced from PubChem (CID 130204225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).