5-cyclohexyl-4-methylhexanoic acid

C13H24O2 — CID 174468115

IUPAC5-cyclohexyl-4-methylhexanoic acid
SMILESCC(CCC(=O)O)C(C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(8-9-13(14)15)11(2)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyKBEQKLZRGSQTOK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.70
Rot. Bonds5

About 5-cyclohexyl-4-methylhexanoic acid

5-cyclohexyl-4-methylhexanoic acid (PubChem CID 174468115) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-cyclohexyl-4-methylhexanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-methylhexanoic acid
PubChem CID174468115
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5-cyclohexyl-4-methylhexanoic acid
SMILESCC(CCC(=O)O)C(C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(8-9-13(14)15)11(2)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyKBEQKLZRGSQTOK-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dicyclohexylbutanoic acid
CID 19041232
5-cyclopentylhexanoic acid
CID 69016722
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
4-cyclohexylsulfanylpentanoic acid
CID 62213265
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methylhexanoic acid?
The IUPAC name of 5-cyclohexyl-4-methylhexanoic acid (CID 174468115) is 5-cyclohexyl-4-methylhexanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-methylhexanoic acid?
The canonical SMILES for 5-cyclohexyl-4-methylhexanoic acid is CC(CCC(=O)O)C(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-methylhexanoic acid?
The InChIKey is KBEQKLZRGSQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(8-9-13(14)15)11(2)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclohexyl-4-methylhexanoic acid?
5-cyclohexyl-4-methylhexanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methylhexanoic acid is sourced from PubChem (CID 174468115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).