[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

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Related Compounds

[3-Ethyl-7-methyl-7-(2-oxobut-3-enyl)-1,5-dioxocan-3-yl]methyl prop-2-enoate
CID 20645981
2-(3,3-Dimethyl-5-oxooxolan-2-yl)ethyl prop-2-enoate
CID 20736050
[5-Methyl-4-oxo-2-(prop-2-enoxymethyl)hex-5-enyl] 2-methylprop-2-enoate
CID 20757998
(3,3,6-Trimethyl-5-oxohept-6-en-2-yl) 2-methylprop-2-enoate
CID 53846117
[2-(Buta-1,3-dien-2-yloxymethyl)-4-oxo-2-(2-oxobut-3-enyl)hex-5-enyl] propanoate
CID 54034502
4-Prop-2-enoyloxybutyl 2,2-dimethyl-4-oxohex-5-enoate
CID 58319692
[2-Ethyl-5-methyl-2-(2-methylprop-2-enoyloxymethyl)-4-oxohex-5-enyl] 2-methylprop-2-enoate
CID 58664671
[4-Oxo-2,2-bis(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
CID 58769642
(2,2-Dimethyl-4-oxohex-5-enyl) prop-2-enoate
CID 58769644
[5-Oxo-2,2-bis(prop-2-enoyloxymethyl)hept-6-enyl] prop-2-enoate
CID 58900824
3-[2-(4-Oxohex-5-enylperoxymethyl)-2-(3-prop-2-enoyloxypropoxymethyl)butoxy]propyl prop-2-enoate
CID 59372755
1-[2,2-Dimethyl-3-(2-methyl-4-oxohex-5-enoxy)propoxy]propan-2-yl prop-2-enoate
CID 59499819

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).