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

C8H10O5 — CID 18451678

IUPAC(4-methoxy-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1OC
InChIInChI=1S/C8H10O5/c1-3-6(9)13-7-5(11-2)4-12-8(7)10/h3,5,7H,1,4H2,2H3
InChIKeyFOWCUBLRFATAIS-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.34
Rot. Bonds3

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

(4-methoxy-2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 18451678) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-methoxy-2-oxooxolan-3-yl) prop-2-enoate
PubChem CID18451678
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(4-methoxy-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1OC
InChIInChI=1S/C8H10O5/c1-3-6(9)13-7-5(11-2)4-12-8(7)10/h3,5,7H,1,4H2,2H3
InChIKeyFOWCUBLRFATAIS-UHFFFAOYSA-N
XLogP-0.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate (CID 18451678) is (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1C(=O)OCC1OC.
What is the InChIKey of (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is FOWCUBLRFATAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-6(9)13-7-5(11-2)4-12-8(7)10/h3,5,7H,1,4H2,2H3.
What are the key properties of (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate?
(4-methoxy-2-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 186.16 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 18451678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).