2-cycloheptylbutanoic acid

C11H20O2 — CID 79007061

IUPAC2-cycloheptylbutanoic acid
SMILESCCC(C(=O)O)C1CCCCCC1
InChIInChI=1S/C11H20O2/c1-2-10(11(12)13)9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyMOASVPXRPKLDQS-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds3

About 2-cycloheptylbutanoic acid

2-cycloheptylbutanoic acid (PubChem CID 79007061) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-cycloheptylbutanoic acid.

Molecular Properties

Compound Name2-cycloheptylbutanoic acid
PubChem CID79007061
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-cycloheptylbutanoic acid
SMILESCCC(C(=O)O)C1CCCCCC1
InChIInChI=1S/C11H20O2/c1-2-10(11(12)13)9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyMOASVPXRPKLDQS-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 173256646
CID 173256646
4-cyclohexylhexan-3-one
CID 121006778
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
3-chloro-2-cyclohexylpropanoic acid
CID 151396800
2-cyclohexyldecanoic acid
CID 19004831
2-(oxan-3-yl)butanoic acid
CID 82411862
2-cyclohexyl-N-methylbutanamide;hydrochloride
CID 174608918
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825
methyl 3-cyclohexyl-2-oxopentanoate
CID 174214422
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
2-cyclopentyltridecanoic acid
CID 22665117

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylbutanoic acid?
The IUPAC name of 2-cycloheptylbutanoic acid (CID 79007061) is 2-cycloheptylbutanoic acid.
What is the SMILES notation for 2-cycloheptylbutanoic acid?
The canonical SMILES for 2-cycloheptylbutanoic acid is CCC(C(=O)O)C1CCCCCC1.
What is the InChIKey of 2-cycloheptylbutanoic acid?
The InChIKey is MOASVPXRPKLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-10(11(12)13)9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-cycloheptylbutanoic acid?
2-cycloheptylbutanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylbutanoic acid is sourced from PubChem (CID 79007061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).