[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate

C13H16O5 — CID 22184325

IUPAC[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
SMILESC=CC(=O)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O5/c1-6-10(14)11(18-13(16)9(4)5)7-17-12(15)8(2)3/h6,11H,1-2,4,7H2,3,5H3
InChIKeySZOCIYQLZGKORC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.35
Rot. Bonds7

About [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate (PubChem CID 22184325) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
PubChem CID22184325
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
SMILESC=CC(=O)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C13H16O5/c1-6-10(14)11(18-13(16)9(4)5)7-17-12(15)8(2)3/h6,11H,1-2,4,7H2,3,5H3
InChIKeySZOCIYQLZGKORC-UHFFFAOYSA-N
XLogP1.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate (CID 22184325) is [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate is C=CC(=O)C(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate?
The InChIKey is SZOCIYQLZGKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-6-10(14)11(18-13(16)9(4)5)7-17-12(15)8(2)3/h6,11H,1-2,4,7H2,3,5H3.
What are the key properties of [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate has a molecular weight of 252.27 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 22184325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).