prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate

C10H14O5 — CID 57283558

IUPACprop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate
SMILESC=C(C)OC(=O)COCC(=O)OC(=C)C
InChIInChI=1S/C10H14O5/c1-7(2)14-9(11)5-13-6-10(12)15-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyFYSFEQFCEKUBIZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.16
Rot. Bonds6

About prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate

prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate (PubChem CID 57283558) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate
PubChem CID57283558
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameprop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate
SMILESC=C(C)OC(=O)COCC(=O)OC(=C)C
InChIInChI=1S/C10H14O5/c1-7(2)14-9(11)5-13-6-10(12)15-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyFYSFEQFCEKUBIZ-UHFFFAOYSA-N
XLogP1.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate 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 prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate?
The IUPAC name of prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate (CID 57283558) is prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate.
What is the SMILES notation for prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate?
The canonical SMILES for prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate is C=C(C)OC(=O)COCC(=O)OC(=C)C.
What is the InChIKey of prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate?
The InChIKey is FYSFEQFCEKUBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(2)14-9(11)5-13-6-10(12)15-8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate?
prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate has a molecular weight of 214.22 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate is sourced from PubChem (CID 57283558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).