6-cyclopentyl-5-methylhexanoic acid

C12H22O2 — CID 70074229

IUPAC6-cyclopentyl-5-methylhexanoic acid
SMILESCC(CCCC(=O)O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-10(5-4-8-12(13)14)9-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyPUOJRMLPXKTGDF-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds6

About 6-cyclopentyl-5-methylhexanoic acid

6-cyclopentyl-5-methylhexanoic acid (PubChem CID 70074229) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-cyclopentyl-5-methylhexanoic acid.

Molecular Properties

Compound Name6-cyclopentyl-5-methylhexanoic acid
PubChem CID70074229
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name6-cyclopentyl-5-methylhexanoic acid
SMILESCC(CCCC(=O)O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-10(5-4-8-12(13)14)9-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyPUOJRMLPXKTGDF-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-methylhexanoic acid?
The IUPAC name of 6-cyclopentyl-5-methylhexanoic acid (CID 70074229) is 6-cyclopentyl-5-methylhexanoic acid.
What is the SMILES notation for 6-cyclopentyl-5-methylhexanoic acid?
The canonical SMILES for 6-cyclopentyl-5-methylhexanoic acid is CC(CCCC(=O)O)CC1CCCC1.
What is the InChIKey of 6-cyclopentyl-5-methylhexanoic acid?
The InChIKey is PUOJRMLPXKTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(5-4-8-12(13)14)9-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 6-cyclopentyl-5-methylhexanoic acid?
6-cyclopentyl-5-methylhexanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-methylhexanoic acid is sourced from PubChem (CID 70074229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).