3-hydroxy-1-methylcyclohexane-1-carboxylic acid

C8H14O3 — CID 13236233

IUPAC3-hydroxy-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC(O)C1
InChIInChI=1S/C8H14O3/c1-8(7(10)11)4-2-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyMPONYOFVGVGXCB-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds1

About 3-hydroxy-1-methylcyclohexane-1-carboxylic acid

3-hydroxy-1-methylcyclohexane-1-carboxylic acid (PubChem CID 13236233) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-hydroxy-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-methylcyclohexane-1-carboxylic acid
PubChem CID13236233
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-hydroxy-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC(O)C1
InChIInChI=1S/C8H14O3/c1-8(7(10)11)4-2-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyMPONYOFVGVGXCB-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 3-hydroxy-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-methylcyclohexane-1-carboxylic acid (CID 13236233) is 3-hydroxy-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCC(O)C1.
What is the InChIKey of 3-hydroxy-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is MPONYOFVGVGXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(7(10)11)4-2-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-hydroxy-1-methylcyclohexane-1-carboxylic acid?
3-hydroxy-1-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 3-hydroxy-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 13236233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).