2-(1-ethenoxyethyl)oxirane

C6H10O2 — CID 18937463

IUPAC2-(1-ethenoxyethyl)oxirane
SMILESC=COC(C)C1CO1
InChIInChI=1S/C6H10O2/c1-3-7-5(2)6-4-8-6/h3,5-6H,1,4H2,2H3
InChIKeyNPHNRLGYAXMOKB-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.93
Rot. Bonds3

About 2-(1-ethenoxyethyl)oxirane

2-(1-ethenoxyethyl)oxirane (PubChem CID 18937463) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)oxirane.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)oxirane
PubChem CID18937463
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(1-ethenoxyethyl)oxirane
SMILESC=COC(C)C1CO1
InChIInChI=1S/C6H10O2/c1-3-7-5(2)6-4-8-6/h3,5-6H,1,4H2,2H3
InChIKeyNPHNRLGYAXMOKB-UHFFFAOYSA-N
XLogP0.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(1-ethenoxyethyl)oxirane?
The IUPAC name of 2-(1-ethenoxyethyl)oxirane (CID 18937463) is 2-(1-ethenoxyethyl)oxirane.
What is the SMILES notation for 2-(1-ethenoxyethyl)oxirane?
The canonical SMILES for 2-(1-ethenoxyethyl)oxirane is C=COC(C)C1CO1.
What is the InChIKey of 2-(1-ethenoxyethyl)oxirane?
The InChIKey is NPHNRLGYAXMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-7-5(2)6-4-8-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)oxirane?
2-(1-ethenoxyethyl)oxirane has a molecular weight of 114.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)oxirane is sourced from PubChem (CID 18937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).