4-propylcyclohexane-1-carboxylic acid

C10H18O2 — CID 1490324

IUPAC4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQCNUKEGGHOLBES-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds3

About 4-propylcyclohexane-1-carboxylic acid

4-propylcyclohexane-1-carboxylic acid (PubChem CID 1490324) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propylcyclohexane-1-carboxylic acid
PubChem CID1490324
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQCNUKEGGHOLBES-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-propylcyclohexane-1-carboxylic acid (CID 1490324) is 4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-propylcyclohexane-1-carboxylic acid?
The InChIKey is QCNUKEGGHOLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-propylcyclohexane-1-carboxylic acid?
4-propylcyclohexane-1-carboxylic acid has a molecular weight of 170.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 1490324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).