2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane

C10H14O3 — CID 88769379

IUPAC2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CC1OC1COCC1OC1C=C
InChIInChI=1S/C10H14O3/c1-3-7-9(12-7)5-11-6-10-8(4-2)13-10/h3-4,7-10H,1-2,5-6H2
InChIKeyCJEZPMGIIYRGQK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.91
Rot. Bonds6

About 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane

2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane (PubChem CID 88769379) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane
PubChem CID88769379
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane
SMILESC=CC1OC1COCC1OC1C=C
InChIInChI=1S/C10H14O3/c1-3-7-9(12-7)5-11-6-10-8(4-2)13-10/h3-4,7-10H,1-2,5-6H2
InChIKeyCJEZPMGIIYRGQK-UHFFFAOYSA-N
XLogP0.91
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.91
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 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane?
The IUPAC name of 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane (CID 88769379) is 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane.
What is the SMILES notation for 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane?
The canonical SMILES for 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane is C=CC1OC1COCC1OC1C=C.
What is the InChIKey of 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane?
The InChIKey is CJEZPMGIIYRGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-7-9(12-7)5-11-6-10-8(4-2)13-10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane?
2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane has a molecular weight of 182.22 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[(3-ethenyloxiran-2-yl)methoxymethyl]oxirane is sourced from PubChem (CID 88769379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).