3-ethenoxycarbonylpent-4-enoic acid

C8H10O4 — CID 23373284

IUPAC3-ethenoxycarbonylpent-4-enoic acid
SMILESC=COC(=O)C(C=C)CC(=O)O
InChIInChI=1S/C8H10O4/c1-3-6(5-7(9)10)8(11)12-4-2/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyHRZZKSHLFMTZMF-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.95
Rot. Bonds5

About 3-ethenoxycarbonylpent-4-enoic acid

3-ethenoxycarbonylpent-4-enoic acid (PubChem CID 23373284) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-ethenoxycarbonylpent-4-enoic acid.

Molecular Properties

Compound Name3-ethenoxycarbonylpent-4-enoic acid
PubChem CID23373284
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-ethenoxycarbonylpent-4-enoic acid
SMILESC=COC(=O)C(C=C)CC(=O)O
InChIInChI=1S/C8H10O4/c1-3-6(5-7(9)10)8(11)12-4-2/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyHRZZKSHLFMTZMF-UHFFFAOYSA-N
XLogP0.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethenoxycarbonylpent-4-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

Related Compounds

2-Ethenylbutanedioic acid
CID 14325576
Carboxymethylfuranone
CID 129714119
4-Oxo-4-pent-4-enoxy-2-(trifluoromethyl)butanoic acid
CID 58128076
Dimethyl 2-ethenylbutanedioate
CID 14176387
Ethyl 3-(hydroxymethyl)pent-4-enoate
CID 134853061
2-(2-Methoxy-2-oxoethyl)-2-methylbut-3-enoic acid
CID 134917055
dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate
CID 10584098
3-Methoxycarbonyl-2,2-dimethylpent-4-enoic acid
CID 101805755
2,3-Bis(ethenyl)butanedioic acid
CID 12914645
Methyl-4-hydroxy-3-vinylbutyrate
CID 18918398
4-Ethenoxy-2-methylidene-4-oxobutanoic acid;2-ethenyl-3-methylidenebutanedioic acid
CID 20405224
2-(2,3-Dihydrofuran-3-yl)acetic acid
CID 22131869

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxycarbonylpent-4-enoic acid?
The IUPAC name of 3-ethenoxycarbonylpent-4-enoic acid (CID 23373284) is 3-ethenoxycarbonylpent-4-enoic acid.
What is the SMILES notation for 3-ethenoxycarbonylpent-4-enoic acid?
The canonical SMILES for 3-ethenoxycarbonylpent-4-enoic acid is C=COC(=O)C(C=C)CC(=O)O.
What is the InChIKey of 3-ethenoxycarbonylpent-4-enoic acid?
The InChIKey is HRZZKSHLFMTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-6(5-7(9)10)8(11)12-4-2/h3-4,6H,1-2,5H2,(H,9,10).
What are the key properties of 3-ethenoxycarbonylpent-4-enoic acid?
3-ethenoxycarbonylpent-4-enoic acid has a molecular weight of 170.16 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxycarbonylpent-4-enoic acid is sourced from PubChem (CID 23373284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).