(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid

C11H18O2 — CID 70351288

IUPAC(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
SMILESCC(C)/C(=C/C1CCCC1)C(=O)O
InChIInChI=1S/C11H18O2/c1-8(2)10(11(12)13)7-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)/b10-7-
InChIKeyWRPIKJZOFFVJJJ-YFHOEESVSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds3

About (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid

(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid (PubChem CID 70351288) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
PubChem CID70351288
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
SMILESCC(C)/C(=C/C1CCCC1)C(=O)O
InChIInChI=1S/C11H18O2/c1-8(2)10(11(12)13)7-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)/b10-7-
InChIKeyWRPIKJZOFFVJJJ-YFHOEESVSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid?
The IUPAC name of (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid (CID 70351288) is (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid.
What is the SMILES notation for (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid?
The canonical SMILES for (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid is CC(C)/C(=C/C1CCCC1)C(=O)O.
What is the InChIKey of (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid?
The InChIKey is WRPIKJZOFFVJJJ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)10(11(12)13)7-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)/b10-7-.
What are the key properties of (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid?
(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid is sourced from PubChem (CID 70351288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).