ethoxyethane

C4H9O- — CID 21058325

IUPACethoxyethane
SMILES[CH2-]COCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h1,3-4H2,2H3/q-1
InChIKeyJCJQZWQOLYECBZ-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.86
Rot. Bonds2

About ethoxyethane

ethoxyethane (PubChem CID 21058325) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is ethoxyethane.

Molecular Properties

Compound Nameethoxyethane
PubChem CID21058325
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Nameethoxyethane
SMILES[CH2-]COCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h1,3-4H2,2H3/q-1
InChIKeyJCJQZWQOLYECBZ-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane?
The IUPAC name of ethoxyethane (CID 21058325) is ethoxyethane.
What is the SMILES notation for ethoxyethane?
The canonical SMILES for ethoxyethane is [CH2-]COCC.
What is the InChIKey of ethoxyethane?
The InChIKey is JCJQZWQOLYECBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-5-4-2/h1,3-4H2,2H3/q-1.
What are the key properties of ethoxyethane?
ethoxyethane has a molecular weight of 73.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane is sourced from PubChem (CID 21058325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).