1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid

C14H26O2 — CID 82935062

IUPAC1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCCC(CC)CC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-4-12(5-2)10-14(13(15)16)8-6-11(3)7-9-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWNCOTRXFUARJNQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid

1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 82935062) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID82935062
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCCC(CC)CC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-4-12(5-2)10-14(13(15)16)8-6-11(3)7-9-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWNCOTRXFUARJNQ-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylbutyl)-4-methylcyclohexane-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

1,4-Cyclohexanedicarboxylic acid
CID 14106
(R)-(-)-2-propyloctanoic acid
CID 208925
Anteisopentadecanoic Acid
CID 21672
Cyclohexaneacetic acid
CID 21363
4-Ethyloctanoic acid
CID 61840
13-Methyltetradecanoic Acid
CID 151014
4-Methylnonanoic acid
CID 62003
4-Methyloctanoic acid
CID 62089
8-Methyldecanoic acid
CID 21813
Neodecanoic acid
CID 62817
8-Methylnonanoic acid
CID 111470
Cyclohexanepropanoic acid
CID 69702

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid (CID 82935062) is 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid is CCC(CC)CC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is WNCOTRXFUARJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-12(5-2)10-14(13(15)16)8-6-11(3)7-9-14/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid?
1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 226.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82935062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).