2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate

C13H20O4 — CID 130470169

IUPAC2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(C)C(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-8(2)12(14)11(6)17-10(5)7-16-13(15)9(3)4/h10-11H,1,3,7H2,2,4-6H3
InChIKeyAYVIRWNEONXBIQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.04
Rot. Bonds7

About 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate

2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate (PubChem CID 130470169) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate
PubChem CID130470169
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(C)C(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-8(2)12(14)11(6)17-10(5)7-16-13(15)9(3)4/h10-11H,1,3,7H2,2,4-6H3
InChIKeyAYVIRWNEONXBIQ-UHFFFAOYSA-N
XLogP2.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate (CID 130470169) is 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(C)C(=O)C(=C)C.
What is the InChIKey of 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate?
The InChIKey is AYVIRWNEONXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)12(14)11(6)17-10(5)7-16-13(15)9(3)4/h10-11H,1,3,7H2,2,4-6H3.
What are the key properties of 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate?
2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopent-4-en-2-yl)oxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 130470169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).