(4-methyl-2-oxooxolan-3-yl) prop-2-enoate

C8H10O4 — CID 22650058

IUPAC(4-methyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1C
InChIInChI=1S/C8H10O4/c1-3-6(9)12-7-5(2)4-11-8(7)10/h3,5,7H,1,4H2,2H3
InChIKeyQJWLARPZQVTJRY-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.28
Rot. Bonds2

About (4-methyl-2-oxooxolan-3-yl) prop-2-enoate

(4-methyl-2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 22650058) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (4-methyl-2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-methyl-2-oxooxolan-3-yl) prop-2-enoate
PubChem CID22650058
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(4-methyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1C
InChIInChI=1S/C8H10O4/c1-3-6(9)12-7-5(2)4-11-8(7)10/h3,5,7H,1,4H2,2H3
InChIKeyQJWLARPZQVTJRY-UHFFFAOYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.28
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-methyl-2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (4-methyl-2-oxooxolan-3-yl) prop-2-enoate (CID 22650058) is (4-methyl-2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (4-methyl-2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (4-methyl-2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1C(=O)OCC1C.
What is the InChIKey of (4-methyl-2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is QJWLARPZQVTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-6(9)12-7-5(2)4-11-8(7)10/h3,5,7H,1,4H2,2H3.
What are the key properties of (4-methyl-2-oxooxolan-3-yl) prop-2-enoate?
(4-methyl-2-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 170.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 22650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).