2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate

C12H18O4 — CID 58769643

IUPAC2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OCC(C)C(=O)C=C
InChIInChI=1S/C12H18O4/c1-5-11(13)9(3)7-15-10(4)8-16-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyHSNBVXFZKDZYNF-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.51
Rot. Bonds8

About 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate

2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate (PubChem CID 58769643) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate
PubChem CID58769643
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OCC(C)C(=O)C=C
InChIInChI=1S/C12H18O4/c1-5-11(13)9(3)7-15-10(4)8-16-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyHSNBVXFZKDZYNF-UHFFFAOYSA-N
XLogP1.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.51
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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Related Compounds

1-(4-Methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate
CID 20663744
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
1-[2,2-Dimethyl-3-(2-methyl-3-oxopent-4-enoxy)propoxy]propan-2-yl prop-2-enoate
CID 58769626
2-(3-Oxopent-4-enoxy)ethyl prop-2-enoate
CID 58769637
[2,2-Dimethyl-3-(2-methyl-3-oxopent-4-enoxy)propyl] prop-2-enoate
CID 87978019
2,3-Di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate
CID 88596408
2-(3-Oxobutanoyloxy)ethyl 3-methyl-2-methylidenebutanoate
CID 89068804
2-[2,3-Bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate
CID 89419358
2-[2-Methyl-2-[2-(3-oxopent-4-enoxy)ethoxymethyl]-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118198819
2-[2-(2-Methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate
CID 123141984
2-[2-(2-Methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 129174711
2-Prop-2-enoyloxypropyl 2-methylbutanoate
CID 141176089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate?
The IUPAC name of 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate (CID 58769643) is 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate.
What is the SMILES notation for 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate?
The canonical SMILES for 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate is C=CC(=O)OCC(C)OCC(C)C(=O)C=C.
What is the InChIKey of 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate?
The InChIKey is HSNBVXFZKDZYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-11(13)9(3)7-15-10(4)8-16-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate?
2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxopent-4-enoxy)propyl prop-2-enoate is sourced from PubChem (CID 58769643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).