ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate

C10H14O5 — CID 125469663

IUPACethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate
SMILESCCOC(=O)/C=C/O/C=C/C(=O)OCC
InChIInChI=1S/C10H14O5/c1-3-14-9(11)5-7-13-8-6-10(12)15-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGCFDFEMZDBNJMG-KQQUZDAGSA-N
MW214.22 g/mol
LogP1.16
Rot. Bonds6

About ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate

ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate (PubChem CID 125469663) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate
PubChem CID125469663
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate
SMILESCCOC(=O)/C=C/O/C=C/C(=O)OCC
InChIInChI=1S/C10H14O5/c1-3-14-9(11)5-7-13-8-6-10(12)15-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGCFDFEMZDBNJMG-KQQUZDAGSA-N
XLogP1.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate 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

Butyl Acrylate
CID 8846
Ethyl Acrylate
CID 8821
Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Diethylene glycol diacrylate
CID 19996
n-Propyl acrylate
CID 13550
Ethylene glycol diacrylate
CID 75282
Butanediol diacrylate
CID 70613
Neopentyl glycol diacrylate
CID 16680
2-(2-Ethoxyethoxy)ethyl PROP-2-enoate
CID 81766
1,3-Butylene glycol diacrylate
CID 29635
Dipropyl maleate
CID 5271567

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate (CID 125469663) is ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate is CCOC(=O)/C=C/O/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate?
The InChIKey is GCFDFEMZDBNJMG-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-14-9(11)5-7-13-8-6-10(12)15-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate?
ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]prop-2-enoate is sourced from PubChem (CID 125469663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).