(Z)-2-(2-methylpropyl)pent-2-enoic acid

C9H16O2 — CID 18516543

IUPAC(Z)-2-(2-methylpropyl)pent-2-enoic acid
SMILESCC/C=C(/CC(C)C)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-5-8(9(10)11)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,10,11)/b8-5-
InChIKeyHAOYOWVFKDKJMI-YVMONPNESA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds4

About (Z)-2-(2-methylpropyl)pent-2-enoic acid

(Z)-2-(2-methylpropyl)pent-2-enoic acid (PubChem CID 18516543) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-2-(2-methylpropyl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-methylpropyl)pent-2-enoic acid
PubChem CID18516543
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-2-(2-methylpropyl)pent-2-enoic acid
SMILESCC/C=C(/CC(C)C)C(=O)O
InChIInChI=1S/C9H16O2/c1-4-5-8(9(10)11)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,10,11)/b8-5-
InChIKeyHAOYOWVFKDKJMI-YVMONPNESA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(2-methylpropyl)pent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-methylpropyl)pent-2-enoic acid?
The IUPAC name of (Z)-2-(2-methylpropyl)pent-2-enoic acid (CID 18516543) is (Z)-2-(2-methylpropyl)pent-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-methylpropyl)pent-2-enoic acid?
The canonical SMILES for (Z)-2-(2-methylpropyl)pent-2-enoic acid is CC/C=C(/CC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-(2-methylpropyl)pent-2-enoic acid?
The InChIKey is HAOYOWVFKDKJMI-YVMONPNESA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-8(9(10)11)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,10,11)/b8-5-.
What are the key properties of (Z)-2-(2-methylpropyl)pent-2-enoic acid?
(Z)-2-(2-methylpropyl)pent-2-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methylpropyl)pent-2-enoic acid is sourced from PubChem (CID 18516543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).