2-(2,4-dimethylcyclohexyl)acetic acid

C10H18O2 — CID 64774330

IUPAC2-(2,4-dimethylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)C(C)C1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKBUMCZUQFCLFJP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,4-dimethylcyclohexyl)acetic acid

2-(2,4-dimethylcyclohexyl)acetic acid (PubChem CID 64774330) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohexyl)acetic acid
PubChem CID64774330
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2,4-dimethylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)C(C)C1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKBUMCZUQFCLFJP-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-dimethylcyclohexyl)acetic 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-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
CID 54375426
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115016227
2-[(2R)-2-alumanyl-4-methylcyclopentyl]acetic acid
CID 149498452
2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
CID 22103348
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
CID 66435669
hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclohexyl)acetic acid?
The IUPAC name of 2-(2,4-dimethylcyclohexyl)acetic acid (CID 64774330) is 2-(2,4-dimethylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2,4-dimethylcyclohexyl)acetic acid is CC1CCC(CC(=O)O)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylcyclohexyl)acetic acid?
The InChIKey is KBUMCZUQFCLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,4-dimethylcyclohexyl)acetic acid?
2-(2,4-dimethylcyclohexyl)acetic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohexyl)acetic acid is sourced from PubChem (CID 64774330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).