1-(2-ethylbutyl)cyclohexane-1-carboxylic acid

C13H24O2 — CID 10488751

IUPAC1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
SMILESCCC(CC)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyXRKJBJLXKLOLKS-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid

1-(2-ethylbutyl)cyclohexane-1-carboxylic acid (PubChem CID 10488751) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
PubChem CID10488751
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
SMILESCCC(CC)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyXRKJBJLXKLOLKS-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylbutyl)cyclohexane-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

Related Compounds

Phytanic Acid
CID 26840
(R)-(-)-2-propyloctanoic acid
CID 208925
Pristanic acid
CID 123929
16-Methylheptadecanoic Acid
CID 21859
2-Hexyldecanoic acid
CID 32912
Anteisopentadecanoic Acid
CID 21672
1-Carboxycyclohexaneacetic acid
CID 260003
14-Methylpentadecanoic acid
CID 36247
Isooctanoic acid
CID 90716
2-Methylheptanoic acid
CID 14475
Cyclohexaneacetic acid
CID 21363
4-Ethyloctanoic acid
CID 61840

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid (CID 10488751) is 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid is CCC(CC)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid?
The InChIKey is XRKJBJLXKLOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid?
1-(2-ethylbutyl)cyclohexane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 10488751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).