4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid

C13H24O2 — CID 130663279

IUPAC4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(C(C)C(C)C)C1
InChIInChI=1S/C13H24O2/c1-8(2)10(4)12-7-9(3)5-6-11(12)13(14)15/h8-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyUICTVZGQNIWCCO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid

4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 130663279) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID130663279
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(C(C)C(C)C)C1
InChIInChI=1S/C13H24O2/c1-8(2)10(4)12-7-9(3)5-6-11(12)13(14)15/h8-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyUICTVZGQNIWCCO-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-(3-methylbutan-2-yl)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

2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid
CID 126999237
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
2-butan-2-ylcyclobutane-1-carboxylic acid
CID 81008114
2-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
CID 57350907
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
CID 91122566
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)penta-2,3-dienedioic acid
CID 22468078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 130663279) is 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(C(C)C(C)C)C1.
What is the InChIKey of 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is UICTVZGQNIWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-8(2)10(4)12-7-9(3)5-6-11(12)13(14)15/h8-12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130663279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).