6-cyclohexyl-5-methylhexanoic acid

C13H24O2 — CID 70072548

IUPAC6-cyclohexyl-5-methylhexanoic acid
SMILESCC(CCCC(=O)O)CC1CCCCC1
InChIInChI=1S/C13H24O2/c1-11(6-5-9-13(14)15)10-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyHSNYBLCZIBXKLA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds6

About 6-cyclohexyl-5-methylhexanoic acid

6-cyclohexyl-5-methylhexanoic acid (PubChem CID 70072548) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-cyclohexyl-5-methylhexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-5-methylhexanoic acid
PubChem CID70072548
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-cyclohexyl-5-methylhexanoic acid
SMILESCC(CCCC(=O)O)CC1CCCCC1
InChIInChI=1S/C13H24O2/c1-11(6-5-9-13(14)15)10-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyHSNYBLCZIBXKLA-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

6-cyclopentyl-5-methylhexanoic acid
CID 70074229
5-cyclopentylhexanoic acid
CID 69016722
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
CID 68869731
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
2,2-bis(3-cyclohexyl-2-methylpropyl)butanedioic acid
CID 21257973
CID 131865884
CID 131865884
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
5-cyclohexyl-4-methylhexanoic acid
CID 174468115
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
19-cyclohexylnonadecanoic acid
CID 71352938

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-methylhexanoic acid?
The IUPAC name of 6-cyclohexyl-5-methylhexanoic acid (CID 70072548) is 6-cyclohexyl-5-methylhexanoic acid.
What is the SMILES notation for 6-cyclohexyl-5-methylhexanoic acid?
The canonical SMILES for 6-cyclohexyl-5-methylhexanoic acid is CC(CCCC(=O)O)CC1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-methylhexanoic acid?
The InChIKey is HSNYBLCZIBXKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(6-5-9-13(14)15)10-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 6-cyclohexyl-5-methylhexanoic acid?
6-cyclohexyl-5-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-5-methylhexanoic acid is sourced from PubChem (CID 70072548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).