1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone

C10H16O — CID 130029480

IUPAC1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=C(C)C1C
InChIInChI=1S/C10H16O/c1-7-5-4-6-10(8(7)2)9(3)11/h5,8,10H,4,6H2,1-3H3
InChIKeySSFHZBXBBDFQEB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone

1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone (PubChem CID 130029480) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
PubChem CID130029480
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=C(C)C1C
InChIInChI=1S/C10H16O/c1-7-5-4-6-10(8(7)2)9(3)11/h5,8,10H,4,6H2,1-3H3
InChIKeySSFHZBXBBDFQEB-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone 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

diethyl 3,4-dimethylcyclohept-4-ene-1,2-dicarboxylate
CID 66938765
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
1-[(1R,3S,8R,9S,11R)-4,8,11-trimethyl-3-bicyclo[7.2.0]undec-4-enyl]ethanone
CID 3085436
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
1,6,7-trimethylcycloheptene
CID 91039124
(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
CID 24977107
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
lithium (1R)-2-methylcyclopent-2-en-1-olate
CID 102224850
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
1-[4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-en-1-yl]ethanone
CID 71442724

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone (CID 130029480) is 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone is CC(=O)C1CCC=C(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone?
The InChIKey is SSFHZBXBBDFQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-4-6-10(8(7)2)9(3)11/h5,8,10H,4,6H2,1-3H3.
What are the key properties of 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone?
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 130029480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).