[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate

C15H20O5 — CID 58664669

IUPAC[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
SMILESC=CC(=O)CC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C15H20O5/c1-5-12(16)9-15(8-4,10-19-13(17)6-2)11-20-14(18)7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyWPPKAIQQKHEGQL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds10

About [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate

[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate (PubChem CID 58664669) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
PubChem CID58664669
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
SMILESC=CC(=O)CC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C15H20O5/c1-5-12(16)9-15(8-4,10-19-13(17)6-2)11-20-14(18)7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyWPPKAIQQKHEGQL-UHFFFAOYSA-N
XLogP1.99
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] 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

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate?
The IUPAC name of [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate (CID 58664669) is [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate is C=CC(=O)CC(CC)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate?
The InChIKey is WPPKAIQQKHEGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-5-12(16)9-15(8-4,10-19-13(17)6-2)11-20-14(18)7-3/h5-7H,1-3,8-11H2,4H3.
What are the key properties of [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate?
[2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate is sourced from PubChem (CID 58664669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).