ethyl 2-prop-2-enyloxirane-2-carboxylate

C8H12O3 — CID 19424513

IUPACethyl 2-prop-2-enyloxirane-2-carboxylate
SMILESC=CCC1(C(=O)OCC)CO1
InChIInChI=1S/C8H12O3/c1-3-5-8(6-11-8)7(9)10-4-2/h3H,1,4-6H2,2H3
InChIKeyWONUYMXTHUQLBF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds4

About ethyl 2-prop-2-enyloxirane-2-carboxylate

ethyl 2-prop-2-enyloxirane-2-carboxylate (PubChem CID 19424513) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 2-prop-2-enyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-prop-2-enyloxirane-2-carboxylate
PubChem CID19424513
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 2-prop-2-enyloxirane-2-carboxylate
SMILESC=CCC1(C(=O)OCC)CO1
InChIInChI=1S/C8H12O3/c1-3-5-8(6-11-8)7(9)10-4-2/h3H,1,4-6H2,2H3
InChIKeyWONUYMXTHUQLBF-UHFFFAOYSA-N
XLogP0.89
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-2-enyloxirane-2-carboxylate?
The IUPAC name of ethyl 2-prop-2-enyloxirane-2-carboxylate (CID 19424513) is ethyl 2-prop-2-enyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-prop-2-enyloxirane-2-carboxylate?
The canonical SMILES for ethyl 2-prop-2-enyloxirane-2-carboxylate is C=CCC1(C(=O)OCC)CO1.
What is the InChIKey of ethyl 2-prop-2-enyloxirane-2-carboxylate?
The InChIKey is WONUYMXTHUQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-8(6-11-8)7(9)10-4-2/h3H,1,4-6H2,2H3.
What are the key properties of ethyl 2-prop-2-enyloxirane-2-carboxylate?
ethyl 2-prop-2-enyloxirane-2-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enyloxirane-2-carboxylate is sourced from PubChem (CID 19424513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).