2-prop-2-enylcyclohexane-1-carboxylic acid

C10H16O2 — CID 13459791

IUPAC2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1C(=O)O
InChIInChI=1S/C10H16O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2,8-9H,1,3-7H2,(H,11,12)
InChIKeyHQGVWEQXVYAKJQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds3

About 2-prop-2-enylcyclohexane-1-carboxylic acid

2-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 13459791) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID13459791
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1C(=O)O
InChIInChI=1S/C10H16O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2,8-9H,1,3-7H2,(H,11,12)
InChIKeyHQGVWEQXVYAKJQ-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-prop-2-enylcyclohexane-1-carboxylic acid (CID 13459791) is 2-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1CCCCC1C(=O)O.
What is the InChIKey of 2-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is HQGVWEQXVYAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2,8-9H,1,3-7H2,(H,11,12).
What are the key properties of 2-prop-2-enylcyclohexane-1-carboxylic acid?
2-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 13459791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).