ethyl penta-2,3-dienoate

C7H10O2 — CID 533696

IUPACethyl penta-2,3-dienoate
SMILESCC=C=CC(=O)OCC
InChIInChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3
InChIKeyJGEKOPSQLCPNGA-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.28
Rot. Bonds2

About ethyl penta-2,3-dienoate

ethyl penta-2,3-dienoate (PubChem CID 533696) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is ethyl penta-2,3-dienoate.

Molecular Properties

Compound Nameethyl penta-2,3-dienoate
PubChem CID533696
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Nameethyl penta-2,3-dienoate
SMILESCC=C=CC(=O)OCC
InChIInChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3
InChIKeyJGEKOPSQLCPNGA-UHFFFAOYSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl penta-2,3-dienoate 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 ethyl penta-2,3-dienoate?
The IUPAC name of ethyl penta-2,3-dienoate (CID 533696) is ethyl penta-2,3-dienoate.
What is the SMILES notation for ethyl penta-2,3-dienoate?
The canonical SMILES for ethyl penta-2,3-dienoate is CC=C=CC(=O)OCC.
What is the InChIKey of ethyl penta-2,3-dienoate?
The InChIKey is JGEKOPSQLCPNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3.
What are the key properties of ethyl penta-2,3-dienoate?
ethyl penta-2,3-dienoate has a molecular weight of 126.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl penta-2,3-dienoate is sourced from PubChem (CID 533696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).