methoxyethene

C3H6O — CID 7861

IUPACmethoxyethene
SMILESC=COC
InChIInChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3
InChIKeyXJRBAMWJDBPFIM-UHFFFAOYSA-N
MW58.08 g/mol
LogP0.78
Rot. Bonds1

About methoxyethene

methoxyethene (PubChem CID 7861) has the molecular formula C3H6O and a molecular weight of 58.08 g/mol. Its IUPAC name is methoxyethene.

Molecular Properties

Compound Namemethoxyethene
PubChem CID7861
Molecular FormulaC3H6O
Molecular Weight58.08 g/mol
Exact Mass58.04
IUPAC Namemethoxyethene
SMILESC=COC
InChIInChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3
InChIKeyXJRBAMWJDBPFIM-UHFFFAOYSA-N
XLogP0.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.08
LogP ≤ 50.78
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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Related Compounds

Ethyl vinyl ether
CID 8023
Vinyl ether
CID 8024
Lithium, [(1Z)-2-ethoxyethenyl]-
CID 10953421
CID 20721338
CID 20721338
Methoxyvinyl lithium
CID 129667373
1-Fluoro-2-methoxyethene
CID 142551972
(E)-1-fluoro-2-methoxyethene
CID 145742158
2-Methoxyethenyl hypofluorite
CID 151528097
(Z)-1-fluoro-2-methoxyethene
CID 173737797
1-Deuterio-1-ethoxyethene
CID 12202961
e-1-Deutero-2-ethoxyethylene
CID 16692452
CID 53630669
CID 53630669

Frequently Asked Questions

What is the IUPAC name of methoxyethene?
The IUPAC name of methoxyethene (CID 7861) is methoxyethene.
What is the SMILES notation for methoxyethene?
The canonical SMILES for methoxyethene is C=COC.
What is the InChIKey of methoxyethene?
The InChIKey is XJRBAMWJDBPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3.
What are the key properties of methoxyethene?
methoxyethene has a molecular weight of 58.08 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethene is sourced from PubChem (CID 7861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).