2-(2-ethenoxyethyl)oxirane

C6H10O2 — CID 54536432

IUPAC2-(2-ethenoxyethyl)oxirane
SMILESC=COCCC1CO1
InChIInChI=1S/C6H10O2/c1-2-7-4-3-6-5-8-6/h2,6H,1,3-5H2
InChIKeyZACIHQHCNFWHSG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-ethenoxyethyl)oxirane

2-(2-ethenoxyethyl)oxirane (PubChem CID 54536432) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)oxirane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)oxirane
PubChem CID54536432
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(2-ethenoxyethyl)oxirane
SMILESC=COCCC1CO1
InChIInChI=1S/C6H10O2/c1-2-7-4-3-6-5-8-6/h2,6H,1,3-5H2
InChIKeyZACIHQHCNFWHSG-UHFFFAOYSA-N
XLogP0.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
2-(4-ethenoxybutyl)oxane
CID 156762670
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
4-(oxiran-2-yl)butyl formate
CID 140743474
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130
3-(3-ethenoxypropyl)oxane
CID 176603417

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)oxirane?
The IUPAC name of 2-(2-ethenoxyethyl)oxirane (CID 54536432) is 2-(2-ethenoxyethyl)oxirane.
What is the SMILES notation for 2-(2-ethenoxyethyl)oxirane?
The canonical SMILES for 2-(2-ethenoxyethyl)oxirane is C=COCCC1CO1.
What is the InChIKey of 2-(2-ethenoxyethyl)oxirane?
The InChIKey is ZACIHQHCNFWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-7-4-3-6-5-8-6/h2,6H,1,3-5H2.
What are the key properties of 2-(2-ethenoxyethyl)oxirane?
2-(2-ethenoxyethyl)oxirane has a molecular weight of 114.14 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)oxirane is sourced from PubChem (CID 54536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).