2-(3-oxopent-4-enoxy)ethyl prop-2-enoate

C10H14O4 — CID 58769637

IUPAC2-(3-oxopent-4-enoxy)ethyl prop-2-enoate
SMILESC=CC(=O)CCOCCOC(=O)C=C
InChIInChI=1S/C10H14O4/c1-3-9(11)5-6-13-7-8-14-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyFEGMUTKOMHYLHR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.88
Rot. Bonds8

About 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate

2-(3-oxopent-4-enoxy)ethyl prop-2-enoate (PubChem CID 58769637) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-oxopent-4-enoxy)ethyl prop-2-enoate
PubChem CID58769637
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-(3-oxopent-4-enoxy)ethyl prop-2-enoate
SMILESC=CC(=O)CCOCCOC(=O)C=C
InChIInChI=1S/C10H14O4/c1-3-9(11)5-6-13-7-8-14-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyFEGMUTKOMHYLHR-UHFFFAOYSA-N
XLogP0.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetoacetoxyethyl acrylate
CID 4372816
1-Methyl-2-((1-oxoallyl)oxy)ethyl acetoacetate
CID 122531
Prop-2-enyl 3-oxopent-4-enoate
CID 135077327
3-Oxopent-4-enyl prop-2-enoate
CID 20663747
4-Oxohex-5-en-2-yl prop-2-enoate
CID 20778462
2-(2-Prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate
CID 20789159
3-Oxopent-4-enyl 2-methylprop-2-enoate
CID 54355186
2-(3-Oxopent-4-enylperoxymethoxy)ethyl prop-2-enoate
CID 57724176
2-(2-Methyl-3-oxopent-4-enoxy)propyl prop-2-enoate
CID 58769643
2-Prop-2-enoyloxypropyl 3-oxobutanoate
CID 58995557
bis(3-oxopent-4-enyl) (E)-but-2-enedioate
CID 87874274
2-Prop-2-enoyloxypent-4-enyl prop-2-enoate
CID 88099713

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate (CID 58769637) is 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate is C=CC(=O)CCOCCOC(=O)C=C.
What is the InChIKey of 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate?
The InChIKey is FEGMUTKOMHYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-9(11)5-6-13-7-8-14-10(12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate?
2-(3-oxopent-4-enoxy)ethyl prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopent-4-enoxy)ethyl prop-2-enoate is sourced from PubChem (CID 58769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).