(4-methylidene-5-oxooxolan-2-yl) acetate

C7H8O4 — CID 51040712

IUPAC(4-methylidene-5-oxooxolan-2-yl) acetate
SMILESC=C1CC(OC(C)=O)OC1=O
InChIInChI=1S/C7H8O4/c1-4-3-6(10-5(2)8)11-7(4)9/h6H,1,3H2,2H3
InChIKeySZSVFZPJZLBPOF-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.38
Rot. Bonds1

About (4-methylidene-5-oxooxolan-2-yl) acetate

(4-methylidene-5-oxooxolan-2-yl) acetate (PubChem CID 51040712) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-2-yl) acetate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-2-yl) acetate
PubChem CID51040712
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(4-methylidene-5-oxooxolan-2-yl) acetate
SMILESC=C1CC(OC(C)=O)OC1=O
InChIInChI=1S/C7H8O4/c1-4-3-6(10-5(2)8)11-7(4)9/h6H,1,3H2,2H3
InChIKeySZSVFZPJZLBPOF-UHFFFAOYSA-N
XLogP0.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-2-yl) acetate?
The IUPAC name of (4-methylidene-5-oxooxolan-2-yl) acetate (CID 51040712) is (4-methylidene-5-oxooxolan-2-yl) acetate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-2-yl) acetate?
The canonical SMILES for (4-methylidene-5-oxooxolan-2-yl) acetate is C=C1CC(OC(C)=O)OC1=O.
What is the InChIKey of (4-methylidene-5-oxooxolan-2-yl) acetate?
The InChIKey is SZSVFZPJZLBPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-4-3-6(10-5(2)8)11-7(4)9/h6H,1,3H2,2H3.
What are the key properties of (4-methylidene-5-oxooxolan-2-yl) acetate?
(4-methylidene-5-oxooxolan-2-yl) acetate has a molecular weight of 156.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-5-oxooxolan-2-yl) acetate is sourced from PubChem (CID 51040712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).