5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one

C10H14O3 — CID 134830651

IUPAC5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one
SMILESCC(=O)CCC1C(=O)C=CCC1O
InChIInChI=1S/C10H14O3/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-3,8,10,13H,4-6H2,1H3
InChIKeyDCRSKSZHLVSBNJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.86
Rot. Bonds3

About 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one

5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one (PubChem CID 134830651) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one
PubChem CID134830651
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one
SMILESCC(=O)CCC1C(=O)C=CCC1O
InChIInChI=1S/C10H14O3/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-3,8,10,13H,4-6H2,1H3
InChIKeyDCRSKSZHLVSBNJ-UHFFFAOYSA-N
XLogP0.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-6-(3-oxobutyl)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

3-Hydroxy-beta-damascone
CID 6420999
1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CID 92564
(E)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
CID 92254819
(Z)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
CID 98100488
6-Hydroxy-5-(2-hydroxypropanoyl)-4-methylcyclohex-2-en-1-one
CID 130148091
Arthropsadiol C
CID 139584244
(E)-9-hydroxy-8-methyltridec-5-en-7-one
CID 139265606
Einecs 260-430-1
CID 6436646
Hawatide B
CID 170990009
4-Hydroxy-beta-damascone
CID 91749226
5-(2-Hydroxypropyl)-2-methylcyclohex-2-en-1-one
CID 57184771
(2E,6E,8S,9S,10R)-9-hydroxy-8,10-dimethylcyclododeca-2,6-dien-1-one
CID 57586784

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one?
The IUPAC name of 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one (CID 134830651) is 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one is CC(=O)CCC1C(=O)C=CCC1O.
What is the InChIKey of 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one?
The InChIKey is DCRSKSZHLVSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-3,8,10,13H,4-6H2,1H3.
What are the key properties of 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one?
5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(3-oxobutyl)cyclohex-2-en-1-one is sourced from PubChem (CID 134830651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).