2-cycloheptyl-4-methylpentanoic acid

C13H24O2 — CID 82928774

IUPAC2-cycloheptyl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C1CCCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)9-12(13(14)15)11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZQCKOURWORZZCB-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.70
Rot. Bonds4

About 2-cycloheptyl-4-methylpentanoic acid

2-cycloheptyl-4-methylpentanoic acid (PubChem CID 82928774) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-cycloheptyl-4-methylpentanoic acid.

Molecular Properties

Compound Name2-cycloheptyl-4-methylpentanoic acid
PubChem CID82928774
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-cycloheptyl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C1CCCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)9-12(13(14)15)11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZQCKOURWORZZCB-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
2-cycloheptyl-3-hydroxypropanoic acid
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3-chloro-2-cyclohexylpropanoic acid
CID 151396800
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825
2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
CID 112569302
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
2-cyclopentyl-4-methylpent-4-enoic acid
CID 112692953
2-cyclohexyldecanoic acid
CID 19004831
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
4-cyclohexylhexan-3-one
CID 121006778

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-methylpentanoic acid?
The IUPAC name of 2-cycloheptyl-4-methylpentanoic acid (CID 82928774) is 2-cycloheptyl-4-methylpentanoic acid.
What is the SMILES notation for 2-cycloheptyl-4-methylpentanoic acid?
The canonical SMILES for 2-cycloheptyl-4-methylpentanoic acid is CC(C)CC(C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-4-methylpentanoic acid?
The InChIKey is ZQCKOURWORZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)9-12(13(14)15)11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-cycloheptyl-4-methylpentanoic acid?
2-cycloheptyl-4-methylpentanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-methylpentanoic acid is sourced from PubChem (CID 82928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).