ethenoxyethane

C4H8O — CID 8023

IUPACethenoxyethane
SMILESC=COCC
InChIInChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3
InChIKeyFJKIXWOMBXYWOQ-UHFFFAOYSA-N
MW72.11 g/mol
LogP1.17
Rot. Bonds2

About ethenoxyethane

ethenoxyethane (PubChem CID 8023) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is ethenoxyethane.

Molecular Properties

Compound Nameethenoxyethane
PubChem CID8023
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Nameethenoxyethane
SMILESC=COCC
InChIInChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3
InChIKeyFJKIXWOMBXYWOQ-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethane?
The IUPAC name of ethenoxyethane (CID 8023) is ethenoxyethane.
What is the SMILES notation for ethenoxyethane?
The canonical SMILES for ethenoxyethane is C=COCC.
What is the InChIKey of ethenoxyethane?
The InChIKey is FJKIXWOMBXYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3.
What are the key properties of ethenoxyethane?
ethenoxyethane has a molecular weight of 72.11 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane is sourced from PubChem (CID 8023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).