ethoxyethane;oxirane

C6H14O2 — CID 87097695

IUPACethoxyethane;oxirane
SMILESC1CO1.CCOCC
InChIInChI=1S/C4H10O.C2H4O/c1-3-5-4-2;1-2-3-1/h3-4H2,1-2H3;1-2H2
InChIKeyUBBNZIJDFSDYAF-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.06
Rot. Bonds2

About ethoxyethane;oxirane

ethoxyethane;oxirane (PubChem CID 87097695) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is ethoxyethane;oxirane.

Molecular Properties

Compound Nameethoxyethane;oxirane
PubChem CID87097695
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Nameethoxyethane;oxirane
SMILESC1CO1.CCOCC
InChIInChI=1S/C4H10O.C2H4O/c1-3-5-4-2;1-2-3-1/h3-4H2,1-2H3;1-2H2
InChIKeyUBBNZIJDFSDYAF-UHFFFAOYSA-N
XLogP1.06
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;oxirane?
The IUPAC name of ethoxyethane;oxirane (CID 87097695) is ethoxyethane;oxirane.
What is the SMILES notation for ethoxyethane;oxirane?
The canonical SMILES for ethoxyethane;oxirane is C1CO1.CCOCC.
What is the InChIKey of ethoxyethane;oxirane?
The InChIKey is UBBNZIJDFSDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H4O/c1-3-5-4-2;1-2-3-1/h3-4H2,1-2H3;1-2H2.
What are the key properties of ethoxyethane;oxirane?
ethoxyethane;oxirane has a molecular weight of 118.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;oxirane is sourced from PubChem (CID 87097695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).