4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride

C10H17ClO2 — CID 70347715

IUPAC4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
SMILESC=CCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C10H16O2.ClH/c1-2-3-8-4-6-9(7-5-8)10(11)12;/h2,8-9H,1,3-7H2,(H,11,12);1H
InChIKeyYLTYWDYGHGLAPN-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.88
Rot. Bonds3

About 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride

4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 70347715) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID70347715
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
SMILESC=CCC1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C10H16O2.ClH/c1-2-3-8-4-6-9(7-5-8)10(11)12;/h2,8-9H,1,3-7H2,(H,11,12);1H
InChIKeyYLTYWDYGHGLAPN-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride (CID 70347715) is 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride is C=CCC1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is YLTYWDYGHGLAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.ClH/c1-2-3-8-4-6-9(7-5-8)10(11)12;/h2,8-9H,1,3-7H2,(H,11,12);1H.
What are the key properties of 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70347715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).