(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate

C10H12O6 — CID 23572107

IUPAC(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1CCOC1=O
InChIInChI=1S/C10H12O6/c1-6(5-15-7(2)11)9(12)16-8-3-4-14-10(8)13/h8H,1,3-5H2,2H3
InChIKeyRFEIOYOSDRGGFT-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.04
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate

(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate (PubChem CID 23572107) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate
PubChem CID23572107
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1CCOC1=O
InChIInChI=1S/C10H12O6/c1-6(5-15-7(2)11)9(12)16-8-3-4-14-10(8)13/h8H,1,3-5H2,2H3
InChIKeyRFEIOYOSDRGGFT-UHFFFAOYSA-N
XLogP-0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-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-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate (CID 23572107) is (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate is C=C(COC(C)=O)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate?
The InChIKey is RFEIOYOSDRGGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(5-15-7(2)11)9(12)16-8-3-4-14-10(8)13/h8H,1,3-5H2,2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate?
(2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate has a molecular weight of 228.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(acetyloxymethyl)prop-2-enoate is sourced from PubChem (CID 23572107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).