2-(4-methylcyclohexyl)acetic acid

C9H16O2 — CID 3616945

IUPAC2-(4-methylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyOQZGYMRYZAKXAF-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.29
Rot. Bonds2

About 2-(4-methylcyclohexyl)acetic acid

2-(4-methylcyclohexyl)acetic acid (PubChem CID 3616945) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)acetic acid
PubChem CID3616945
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(4-methylcyclohexyl)acetic acid
SMILESCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyOQZGYMRYZAKXAF-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)acetic acid?
The IUPAC name of 2-(4-methylcyclohexyl)acetic acid (CID 3616945) is 2-(4-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-(4-methylcyclohexyl)acetic acid is CC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)acetic acid?
The InChIKey is OQZGYMRYZAKXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylcyclohexyl)acetic acid?
2-(4-methylcyclohexyl)acetic acid has a molecular weight of 156.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)acetic acid is sourced from PubChem (CID 3616945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).