2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid

C12H22O2 — CID 175170094

IUPAC2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CC(C)C(C(=O)O)C(C)C1
InChIInChI=1S/C12H22O2/c1-4-5-10-6-8(2)11(12(13)14)9(3)7-10/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyKVUJFTCYROSJER-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.17
Rot. Bonds3

About 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid

2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid (PubChem CID 175170094) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
PubChem CID175170094
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CC(C)C(C(=O)O)C(C)C1
InChIInChI=1S/C12H22O2/c1-4-5-10-6-8(2)11(12(13)14)9(3)7-10/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyKVUJFTCYROSJER-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-4-propylcyclohexane-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 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid (CID 175170094) is 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid is CCCC1CC(C)C(C(=O)O)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is KVUJFTCYROSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-10-6-8(2)11(12(13)14)9(3)7-10/h8-11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid?
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 198.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 175170094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).