2-cyclopentyl-4-methylpent-4-enoic acid

C11H18O2 — CID 112692953

IUPAC2-cyclopentyl-4-methylpent-4-enoic acid
SMILESC=C(C)CC(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)7-10(11(12)13)9-5-3-4-6-9/h9-10H,1,3-7H2,2H3,(H,12,13)
InChIKeyWCFAFPNCBODXPZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentyl-4-methylpent-4-enoic acid

2-cyclopentyl-4-methylpent-4-enoic acid (PubChem CID 112692953) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclopentyl-4-methylpent-4-enoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-methylpent-4-enoic acid
PubChem CID112692953
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclopentyl-4-methylpent-4-enoic acid
SMILESC=C(C)CC(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)7-10(11(12)13)9-5-3-4-6-9/h9-10H,1,3-7H2,2H3,(H,12,13)
InChIKeyWCFAFPNCBODXPZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptylbutanoic acid
CID 79007061
2-cyclopentyl-5,5-dimethyl-4-oxohept-6-enoic acid
CID 170591162
CID 173256646
CID 173256646
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
3-chloro-2-cyclohexylpropanoic acid
CID 151396800
2-cyclopentylhex-4-ynoic acid
CID 112569276
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816
2-cyclohexyldecanoic acid
CID 19004831

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methylpent-4-enoic acid?
The IUPAC name of 2-cyclopentyl-4-methylpent-4-enoic acid (CID 112692953) is 2-cyclopentyl-4-methylpent-4-enoic acid.
What is the SMILES notation for 2-cyclopentyl-4-methylpent-4-enoic acid?
The canonical SMILES for 2-cyclopentyl-4-methylpent-4-enoic acid is C=C(C)CC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-methylpent-4-enoic acid?
The InChIKey is WCFAFPNCBODXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)7-10(11(12)13)9-5-3-4-6-9/h9-10H,1,3-7H2,2H3,(H,12,13).
What are the key properties of 2-cyclopentyl-4-methylpent-4-enoic acid?
2-cyclopentyl-4-methylpent-4-enoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methylpent-4-enoic acid is sourced from PubChem (CID 112692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).