6-cyclohexyl-3-methylhexanoic acid

C13H24O2 — CID 165358619

IUPAC6-cyclohexyl-3-methylhexanoic acid
SMILESCC(CCCC1CCCCC1)CC(=O)O
InChIInChI=1S/C13H24O2/c1-11(10-13(14)15)6-5-9-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyFINDMKRPCMHREB-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds6

About 6-cyclohexyl-3-methylhexanoic acid

6-cyclohexyl-3-methylhexanoic acid (PubChem CID 165358619) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-cyclohexyl-3-methylhexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-methylhexanoic acid
PubChem CID165358619
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-cyclohexyl-3-methylhexanoic acid
SMILESCC(CCCC1CCCCC1)CC(=O)O
InChIInChI=1S/C13H24O2/c1-11(10-13(14)15)6-5-9-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyFINDMKRPCMHREB-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
CID 68870826
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
4-methylpentylcyclopentane
CID 523530
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-methylhexanoic acid?
The IUPAC name of 6-cyclohexyl-3-methylhexanoic acid (CID 165358619) is 6-cyclohexyl-3-methylhexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-methylhexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-methylhexanoic acid is CC(CCCC1CCCCC1)CC(=O)O.
What is the InChIKey of 6-cyclohexyl-3-methylhexanoic acid?
The InChIKey is FINDMKRPCMHREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(10-13(14)15)6-5-9-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 6-cyclohexyl-3-methylhexanoic acid?
6-cyclohexyl-3-methylhexanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-methylhexanoic acid is sourced from PubChem (CID 165358619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).