2-propan-2-ylcyclohexene-1-carboxylic acid

C10H16O2 — CID 23595836

IUPAC2-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyXPGIRIGYRVWGBF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About 2-propan-2-ylcyclohexene-1-carboxylic acid

2-propan-2-ylcyclohexene-1-carboxylic acid (PubChem CID 23595836) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-propan-2-ylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylcyclohexene-1-carboxylic acid
PubChem CID23595836
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyXPGIRIGYRVWGBF-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-ylcyclohexene-1-carboxylic acid 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 2-propan-2-ylcyclohexene-1-carboxylic acid?
The IUPAC name of 2-propan-2-ylcyclohexene-1-carboxylic acid (CID 23595836) is 2-propan-2-ylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylcyclohexene-1-carboxylic acid?
The canonical SMILES for 2-propan-2-ylcyclohexene-1-carboxylic acid is CC(C)C1=C(C(=O)O)CCCC1.
What is the InChIKey of 2-propan-2-ylcyclohexene-1-carboxylic acid?
The InChIKey is XPGIRIGYRVWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-ylcyclohexene-1-carboxylic acid?
2-propan-2-ylcyclohexene-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 23595836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).