2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid

C10H18O3 — CID 82405792

IUPAC2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
SMILESCC1(C)CCC(O)C(CC(=O)O)C1
InChIInChI=1S/C10H18O3/c1-10(2)4-3-8(11)7(6-10)5-9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyJHMSBUMYGRAHIG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid

2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid (PubChem CID 82405792) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
PubChem CID82405792
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
SMILESCC1(C)CCC(O)C(CC(=O)O)C1
InChIInChI=1S/C10H18O3/c1-10(2)4-3-8(11)7(6-10)5-9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyJHMSBUMYGRAHIG-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-hydroxy-5,5-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-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115020768
2-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 99646802
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(3S,8aR)-3-hydroxy-8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]acetic acid
CID 154040347
2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 107871182
4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
CID 112665066
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79378005
5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
4,4-dimethyl-2-pentylcyclohexane-1-carboxylic acid
CID 81021082
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 102871126

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid (CID 82405792) is 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid is CC1(C)CCC(O)C(CC(=O)O)C1.
What is the InChIKey of 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid?
The InChIKey is JHMSBUMYGRAHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2)4-3-8(11)7(6-10)5-9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid?
2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid is sourced from PubChem (CID 82405792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).