(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one

C7H10O2 — CID 134973013

IUPAC(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5,7,9H,4H2,1H3/t5?,7-/m1/s1
InChIKeyZIJSQJFHMSIYCU-NQPNHJOESA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds

About (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one

(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one (PubChem CID 134973013) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one
PubChem CID134973013
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5,7,9H,4H2,1H3/t5?,7-/m1/s1
InChIKeyZIJSQJFHMSIYCU-NQPNHJOESA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-hydroxy-5-methylcyclohex-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

4-Hydroxy-4-methylcyclohex-2-en-1-one
CID 155465
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
Comosone A
CID 52952530
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
Ampelomin A
CID 25243398
2-Cyclohexen-1-one, 4-hydroxy-2-methyl-5-(1-methylethyl)-, (4R,5S)-rel-
CID 44234541
4-Hydroxy-2-cyclohexenone
CID 558502
(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 15939501
5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178
2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-, trans-
CID 22215384

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one (CID 134973013) is (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one is CC1CC(=O)C=C[C@H]1O.
What is the InChIKey of (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one?
The InChIKey is ZIJSQJFHMSIYCU-NQPNHJOESA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h2-3,5,7,9H,4H2,1H3/t5?,7-/m1/s1.
What are the key properties of (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one?
(4S)-4-hydroxy-5-methylcyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 134973013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).