(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate

C10H14O4 — CID 20676480

IUPAC(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate
SMILESC=CCCC(=O)OCC(=O)OCC=C
InChIInChI=1S/C10H14O4/c1-3-5-6-9(11)14-8-10(12)13-7-4-2/h3-4H,1-2,5-8H2
InChIKeyQORBJMVDYPFUKN-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.23
Rot. Bonds7

About (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate

(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate (PubChem CID 20676480) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate.

Molecular Properties

Compound Name(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate
PubChem CID20676480
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate
SMILESC=CCCC(=O)OCC(=O)OCC=C
InChIInChI=1S/C10H14O4/c1-3-5-6-9(11)14-8-10(12)13-7-4-2/h3-4H,1-2,5-8H2
InChIKeyQORBJMVDYPFUKN-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate?
The IUPAC name of (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate (CID 20676480) is (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate.
What is the SMILES notation for (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate?
The canonical SMILES for (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate is C=CCCC(=O)OCC(=O)OCC=C.
What is the InChIKey of (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate?
The InChIKey is QORBJMVDYPFUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-5-6-9(11)14-8-10(12)13-7-4-2/h3-4H,1-2,5-8H2.
What are the key properties of (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate?
(2-oxo-2-prop-2-enoxyethyl) pent-4-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-prop-2-enoxyethyl) pent-4-enoate is sourced from PubChem (CID 20676480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).