(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid

C10H16O2 — CID 130944939

IUPAC(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)[C@H]1CC=C(C(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,7-8H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyRVWKOGKZZRIQEW-QMMMGPOBSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds2

About (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid

(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid (PubChem CID 130944939) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
PubChem CID130944939
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
SMILESCC(C)[C@H]1CC=C(C(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,7-8H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyRVWKOGKZZRIQEW-QMMMGPOBSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R)-4-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 (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid?
The IUPAC name of (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid (CID 130944939) is (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid?
The canonical SMILES for (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid is CC(C)[C@H]1CC=C(C(=O)O)CC1.
What is the InChIKey of (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid?
The InChIKey is RVWKOGKZZRIQEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,7-8H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid?
(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-ylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 130944939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).