(Z)-4-(oxolan-2-yl)but-3-enoic acid

C8H12O3 — CID 117267585

IUPAC(Z)-4-(oxolan-2-yl)but-3-enoic acid
SMILESO=C(O)C/C=C\C1CCCO1
InChIInChI=1S/C8H12O3/c9-8(10)5-1-3-7-4-2-6-11-7/h1,3,7H,2,4-6H2,(H,9,10)/b3-1-
InChIKeyKPMVLHXVJXEYJH-IWQZZHSRSA-N
MW156.18 g/mol
LogP1.20
Rot. Bonds3

About (Z)-4-(oxolan-2-yl)but-3-enoic acid

(Z)-4-(oxolan-2-yl)but-3-enoic acid (PubChem CID 117267585) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (Z)-4-(oxolan-2-yl)but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(oxolan-2-yl)but-3-enoic acid
PubChem CID117267585
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(Z)-4-(oxolan-2-yl)but-3-enoic acid
SMILESO=C(O)C/C=C\C1CCCO1
InChIInChI=1S/C8H12O3/c9-8(10)5-1-3-7-4-2-6-11-7/h1,3,7H,2,4-6H2,(H,9,10)/b3-1-
InChIKeyKPMVLHXVJXEYJH-IWQZZHSRSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-(oxolan-2-yl)but-3-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-(oxolan-2-yl)but-3-enoic acid?
The IUPAC name of (Z)-4-(oxolan-2-yl)but-3-enoic acid (CID 117267585) is (Z)-4-(oxolan-2-yl)but-3-enoic acid.
What is the SMILES notation for (Z)-4-(oxolan-2-yl)but-3-enoic acid?
The canonical SMILES for (Z)-4-(oxolan-2-yl)but-3-enoic acid is O=C(O)C/C=C\C1CCCO1.
What is the InChIKey of (Z)-4-(oxolan-2-yl)but-3-enoic acid?
The InChIKey is KPMVLHXVJXEYJH-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)5-1-3-7-4-2-6-11-7/h1,3,7H,2,4-6H2,(H,9,10)/b3-1-.
What are the key properties of (Z)-4-(oxolan-2-yl)but-3-enoic acid?
(Z)-4-(oxolan-2-yl)but-3-enoic acid has a molecular weight of 156.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxolan-2-yl)but-3-enoic acid is sourced from PubChem (CID 117267585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).