1-hydroxy-4-methylcyclohexane-1-carboxylic acid

C8H14O3 — CID 18949698

IUPAC1-hydroxy-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-6-2-4-8(11,5-3-6)7(9)10/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyGPPBORVXLHFQLL-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds1

About 1-hydroxy-4-methylcyclohexane-1-carboxylic acid

1-hydroxy-4-methylcyclohexane-1-carboxylic acid (PubChem CID 18949698) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-hydroxy-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-methylcyclohexane-1-carboxylic acid
PubChem CID18949698
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-hydroxy-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-6-2-4-8(11,5-3-6)7(9)10/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyGPPBORVXLHFQLL-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-methylcyclohexane-1-carboxylic acid (CID 18949698) is 1-hydroxy-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-methylcyclohexane-1-carboxylic acid is CC1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is GPPBORVXLHFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-2-4-8(11,5-3-6)7(9)10/h6,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 1-hydroxy-4-methylcyclohexane-1-carboxylic acid?
1-hydroxy-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 18949698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).