2,3-diethyloxirane;methyl prop-2-enoate

C10H18O3 — CID 175305773

IUPAC2,3-diethyloxirane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC1OC1CC
InChIInChI=1S/C6H12O.C4H6O2/c1-3-5-6(4-2)7-5;1-3-4(5)6-2/h5-6H,3-4H2,1-2H3;3H,1H2,2H3
InChIKeyBQWSMRUFUWHGQW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds3

About 2,3-diethyloxirane;methyl prop-2-enoate

2,3-diethyloxirane;methyl prop-2-enoate (PubChem CID 175305773) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,3-diethyloxirane;methyl prop-2-enoate.

Molecular Properties

Compound Name2,3-diethyloxirane;methyl prop-2-enoate
PubChem CID175305773
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,3-diethyloxirane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC1OC1CC
InChIInChI=1S/C6H12O.C4H6O2/c1-3-5-6(4-2)7-5;1-3-4(5)6-2/h5-6H,3-4H2,1-2H3;3H,1H2,2H3
InChIKeyBQWSMRUFUWHGQW-UHFFFAOYSA-N
XLogP1.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
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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Related Compounds

bis(methyl prop-2-enoate);propane
CID 160610529
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methyl prop-2-enoate;zinc;hydroiodide
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ethenyl(triethoxy)silane;methyl prop-2-enoate;oxirane-2,3-dicarboxylic acid
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CID 162245850
dimethyltin;methyl prop-2-enoate
CID 174578648
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CID 19001181
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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyloxirane;methyl prop-2-enoate?
The IUPAC name of 2,3-diethyloxirane;methyl prop-2-enoate (CID 175305773) is 2,3-diethyloxirane;methyl prop-2-enoate.
What is the SMILES notation for 2,3-diethyloxirane;methyl prop-2-enoate?
The canonical SMILES for 2,3-diethyloxirane;methyl prop-2-enoate is C=CC(=O)OC.CCC1OC1CC.
What is the InChIKey of 2,3-diethyloxirane;methyl prop-2-enoate?
The InChIKey is BQWSMRUFUWHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H6O2/c1-3-5-6(4-2)7-5;1-3-4(5)6-2/h5-6H,3-4H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2,3-diethyloxirane;methyl prop-2-enoate?
2,3-diethyloxirane;methyl prop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyloxirane;methyl prop-2-enoate is sourced from PubChem (CID 175305773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).