(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C10H14O2 — CID 91747382

IUPAC(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@H]1CC(=O)C(C)=C[C@H]1O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3/t8-,10+/m0/s1
InChIKeyIQBZOAYOGMNFPL-WCBMZHEXSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds1

About (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 91747382) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID91747382
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@@H]1CC(=O)C(C)=C[C@H]1O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3/t8-,10+/m0/s1
InChIKeyIQBZOAYOGMNFPL-WCBMZHEXSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S,5R)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14379179
(4S,5R)-4-hydroxy-5-[(4R,5E,9E)-4-hydroxy-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl]-2-methylcyclohex-2-en-1-one
CID 71577242
4-hydroxy-5-(4-hydroxy-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)-2-methylcyclohex-2-en-1-one
CID 78118801
(3R,3aS,8aR)-6,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,3a,4,8-hexahydroazulen-5-one
CID 125181476
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
4-hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
CID 155887258
(4aR,5S,8aS)-5-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalene-2,6-dione
CID 154790428
1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene
CID 58674044
(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 10486910
(4S)-4-hydroxy-2-methylcyclohex-2-en-1-one
CID 131106116
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
(1R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,7,8,12,12a-octahydrocyclopenta[11]annulen-11-one
CID 177418332

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 91747382) is (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@@H]1CC(=O)C(C)=C[C@H]1O.
What is the InChIKey of (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is IQBZOAYOGMNFPL-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3/t8-,10+/m0/s1.
What are the key properties of (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 91747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).