(Z)-4-chloro-3-methoxypent-2-enoic acid

C6H9ClO3 — CID 87194712

IUPAC(Z)-4-chloro-3-methoxypent-2-enoic acid
SMILESCO/C(=C\C(=O)O)C(C)Cl
InChIInChI=1S/C6H9ClO3/c1-4(7)5(10-2)3-6(8)9/h3-4H,1-2H3,(H,8,9)/b5-3-
InChIKeyZYDATNNQDPJVEB-HYXAFXHYSA-N
MW164.59 g/mol
LogP1.23
Rot. Bonds3

About (Z)-4-chloro-3-methoxypent-2-enoic acid

(Z)-4-chloro-3-methoxypent-2-enoic acid (PubChem CID 87194712) has the molecular formula C6H9ClO3 and a molecular weight of 164.59 g/mol. Its IUPAC name is (Z)-4-chloro-3-methoxypent-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-chloro-3-methoxypent-2-enoic acid
PubChem CID87194712
Molecular FormulaC6H9ClO3
Molecular Weight164.59 g/mol
Exact Mass164.02
IUPAC Name(Z)-4-chloro-3-methoxypent-2-enoic acid
SMILESCO/C(=C\C(=O)O)C(C)Cl
InChIInChI=1S/C6H9ClO3/c1-4(7)5(10-2)3-6(8)9/h3-4H,1-2H3,(H,8,9)/b5-3-
InChIKeyZYDATNNQDPJVEB-HYXAFXHYSA-N
XLogP1.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-chloro-3-methoxypent-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)-4-chloro-3-methoxypent-2-enoic acid?
The IUPAC name of (Z)-4-chloro-3-methoxypent-2-enoic acid (CID 87194712) is (Z)-4-chloro-3-methoxypent-2-enoic acid.
What is the SMILES notation for (Z)-4-chloro-3-methoxypent-2-enoic acid?
The canonical SMILES for (Z)-4-chloro-3-methoxypent-2-enoic acid is CO/C(=C\C(=O)O)C(C)Cl.
What is the InChIKey of (Z)-4-chloro-3-methoxypent-2-enoic acid?
The InChIKey is ZYDATNNQDPJVEB-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9ClO3/c1-4(7)5(10-2)3-6(8)9/h3-4H,1-2H3,(H,8,9)/b5-3-.
What are the key properties of (Z)-4-chloro-3-methoxypent-2-enoic acid?
(Z)-4-chloro-3-methoxypent-2-enoic acid has a molecular weight of 164.59 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-3-methoxypent-2-enoic acid is sourced from PubChem (CID 87194712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).