2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid

C13H22O2 — CID 154015251

IUPAC2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C13H22O2/c1-10(2)9-13(3,12(14)15)11-7-5-4-6-8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyPJGPJAVDNZFNJL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.48
Rot. Bonds4

About 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid

2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid (PubChem CID 154015251) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
PubChem CID154015251
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C1C=CCCC1
InChIInChI=1S/C13H22O2/c1-10(2)9-13(3,12(14)15)11-7-5-4-6-8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyPJGPJAVDNZFNJL-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid 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

2-cyclohex-2-en-1-yl-2-methylbutanoic acid
CID 112704157
2-cyclohex-2-en-1-yl-2-methylpentan-3-one
CID 59350174
(3R)-3-tert-butylcyclohexene
CID 12523764
2-(2-butyloctyl)-2-cyclohex-2-en-1-ylpropanedioic acid
CID 22637318
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
CID 155057251
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
3-(2-methylpropyl)cycloheptene
CID 54543527
3-butan-2-yloxy-2-cyclopent-2-en-1-yl-2-methyl-3-oxopropanoic acid
CID 70453874
ethyl 2,2-di(cyclohex-2-en-1-yl)-3-oxobutanoate
CID 11130042
2-cyclohexa-2,4-dien-1-yl-2-(hydroxymethyl)-4-methylpentanoic acid
CID 70627080

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid?
The IUPAC name of 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid (CID 154015251) is 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid is CC(C)CC(C)(C(=O)O)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid?
The InChIKey is PJGPJAVDNZFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)9-13(3,12(14)15)11-7-5-4-6-8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid?
2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid is sourced from PubChem (CID 154015251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).