4-ethenylcyclohexane-1-carboxylic acid

C9H14O2 — CID 18538169

IUPAC4-ethenylcyclohexane-1-carboxylic acid
SMILESC=CC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyPONXUVXMHVOCEC-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds2

About 4-ethenylcyclohexane-1-carboxylic acid

4-ethenylcyclohexane-1-carboxylic acid (PubChem CID 18538169) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethenylcyclohexane-1-carboxylic acid
PubChem CID18538169
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethenylcyclohexane-1-carboxylic acid
SMILESC=CC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyPONXUVXMHVOCEC-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
CID 11240528
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
CID 70347715
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
4-[4-[4-[4-(4-formylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane-1-carboxylic acid
CID 58462814
4-prop-2-enoylcyclooctane-1-carboxylic acid
CID 138456010
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-prop-2-enoylcycloundecane-1-carboxylic acid
CID 167291124
4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid
CID 66772843

Frequently Asked Questions

What is the IUPAC name of 4-ethenylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethenylcyclohexane-1-carboxylic acid (CID 18538169) is 4-ethenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethenylcyclohexane-1-carboxylic acid is C=CC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-ethenylcyclohexane-1-carboxylic acid?
The InChIKey is PONXUVXMHVOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2,7-8H,1,3-6H2,(H,10,11).
What are the key properties of 4-ethenylcyclohexane-1-carboxylic acid?
4-ethenylcyclohexane-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 18538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).