3-[(2E)-2-ethylidenecyclohexyl]propanoic acid

C11H18O2 — CID 13428069

IUPAC3-[(2E)-2-ethylidenecyclohexyl]propanoic acid
SMILESC/C=C1\CCCCC1CCC(=O)O
InChIInChI=1S/C11H18O2/c1-2-9-5-3-4-6-10(9)7-8-11(12)13/h2,10H,3-8H2,1H3,(H,12,13)/b9-2+
InChIKeyLLWPPOZTMRJESK-XNWCZRBMSA-N
MW182.26 g/mol
LogP2.99
Rot. Bonds3

About 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid

3-[(2E)-2-ethylidenecyclohexyl]propanoic acid (PubChem CID 13428069) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[(2E)-2-ethylidenecyclohexyl]propanoic acid
PubChem CID13428069
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[(2E)-2-ethylidenecyclohexyl]propanoic acid
SMILESC/C=C1\CCCCC1CCC(=O)O
InChIInChI=1S/C11H18O2/c1-2-9-5-3-4-6-10(9)7-8-11(12)13/h2,10H,3-8H2,1H3,(H,12,13)/b9-2+
InChIKeyLLWPPOZTMRJESK-XNWCZRBMSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(2E)-2-ethylidenecyclohexyl]propanoic 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

Citronellic acid
CID 10402
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Chaulmoogric Acid
CID 441446
1-Cyclohexene-1-acetic acid
CID 86699
13-(Cyclopent-2-Enyl)Tridecanoic Acid
CID 72853
Dilinoleic acid
CID 232568
Bicyclo[3.3.1]non-6-ene-3-carboxylic acid
CID 361989
Dihydroartemisinic acid
CID 11020893
(R)-(+)-citronellic acid
CID 6999957
2-Cyclopentene-1-tridecanoic acid
CID 12302887
Cyclocarboxypropyloleic acid
CID 105841
Potassium acrylinoleate
CID 23668641

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid?
The IUPAC name of 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid (CID 13428069) is 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid.
What is the SMILES notation for 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid?
The canonical SMILES for 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid is C/C=C1\CCCCC1CCC(=O)O.
What is the InChIKey of 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid?
The InChIKey is LLWPPOZTMRJESK-XNWCZRBMSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9-5-3-4-6-10(9)7-8-11(12)13/h2,10H,3-8H2,1H3,(H,12,13)/b9-2+.
What are the key properties of 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid?
3-[(2E)-2-ethylidenecyclohexyl]propanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-ethylidenecyclohexyl]propanoic acid is sourced from PubChem (CID 13428069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).