(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one

C7H10O3 — CID 59123704

IUPAC(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC[C@]1(O)CO
InChIInChI=1S/C7H10O3/c8-5-7(10)4-2-1-3-6(7)9/h1,3,8,10H,2,4-5H2/t7-/m0/s1
InChIKeyFDNHKASVLIYKOL-ZETCQYMHSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds1

About (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one

(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 59123704) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID59123704
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC[C@]1(O)CO
InChIInChI=1S/C7H10O3/c8-5-7(10)4-2-1-3-6(7)9/h1,3,8,10H,2,4-5H2/t7-/m0/s1
InChIKeyFDNHKASVLIYKOL-ZETCQYMHSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-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

Leptosphaerone C
CID 24824760
Leptosphaerone B
CID 139583732
5,6-Dihydroxy-3,6-dimethylcyclohex-2-en-1-one
CID 74326237
(-)-leptosphaerone A
CID 146683512
(5S)-5-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
CID 101505261
6-(Hydroxymethyl)cyclohex-2-en-1-one
CID 90866774
(4S,5S,6R)-4,5,6-Trihydroxy-6-methylcyclohex-2-en-1-one
CID 45083268
(4R,5S)-5-ethyl-4,5-dihydroxycyclohex-2-en-1-one
CID 53329193
(4S,5S,6S)-4,5,6-trihydroxy-6-methylcyclohex-2-en-1-one
CID 135010305
6-Hydroxy-5-methylcyclohex-2-en-1-one
CID 13448216
1-[(1R,2R)-1,2-dihydroxycyclohex-3-en-1-yl]ethanone
CID 14590819
1-[(1R,2S)-1,2-dihydroxycyclohex-3-en-1-yl]ethanone
CID 14590820

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one (CID 59123704) is (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one is O=C1C=CCC[C@]1(O)CO.
What is the InChIKey of (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is FDNHKASVLIYKOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O3/c8-5-7(10)4-2-1-3-6(7)9/h1,3,8,10H,2,4-5H2/t7-/m0/s1.
What are the key properties of (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one?
(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 59123704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).