oxiran-2-ylmethyl prop-2-enoate

C6H8O3 — CID 7836

IUPACoxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CO1
InChIInChI=1S/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2
InChIKeyRPQRDASANLAFCM-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.11
Rot. Bonds3

About oxiran-2-ylmethyl prop-2-enoate

oxiran-2-ylmethyl prop-2-enoate (PubChem CID 7836) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is oxiran-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl prop-2-enoate
PubChem CID7836
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Nameoxiran-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CO1
InChIInChI=1S/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2
InChIKeyRPQRDASANLAFCM-UHFFFAOYSA-N
XLogP0.11
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl prop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl prop-2-enoate (CID 7836) is oxiran-2-ylmethyl prop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl prop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl prop-2-enoate is C=CC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl prop-2-enoate?
The InChIKey is RPQRDASANLAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2.
What are the key properties of oxiran-2-ylmethyl prop-2-enoate?
oxiran-2-ylmethyl prop-2-enoate has a molecular weight of 128.13 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 7836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).