1-chloro-1-methoxyethene

C3H5ClO — CID 20553412

IUPAC1-chloro-1-methoxyethene
SMILESC=C(Cl)OC
InChIInChI=1S/C3H5ClO/c1-3(4)5-2/h1H2,2H3
InChIKeyFGHGCTWNWNRCIS-UHFFFAOYSA-N
MW92.53 g/mol
LogP1.34
Rot. Bonds1

About 1-chloro-1-methoxyethene

1-chloro-1-methoxyethene (PubChem CID 20553412) has the molecular formula C3H5ClO and a molecular weight of 92.53 g/mol. Its IUPAC name is 1-chloro-1-methoxyethene.

Molecular Properties

Compound Name1-chloro-1-methoxyethene
PubChem CID20553412
Molecular FormulaC3H5ClO
Molecular Weight92.53 g/mol
Exact Mass92.00
IUPAC Name1-chloro-1-methoxyethene
SMILESC=C(Cl)OC
InChIInChI=1S/C3H5ClO/c1-3(4)5-2/h1H2,2H3
InChIKeyFGHGCTWNWNRCIS-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.53
LogP ≤ 51.34
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 1-chloro-1-methoxyethene?
The IUPAC name of 1-chloro-1-methoxyethene (CID 20553412) is 1-chloro-1-methoxyethene.
What is the SMILES notation for 1-chloro-1-methoxyethene?
The canonical SMILES for 1-chloro-1-methoxyethene is C=C(Cl)OC.
What is the InChIKey of 1-chloro-1-methoxyethene?
The InChIKey is FGHGCTWNWNRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO/c1-3(4)5-2/h1H2,2H3.
What are the key properties of 1-chloro-1-methoxyethene?
1-chloro-1-methoxyethene has a molecular weight of 92.53 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methoxyethene is sourced from PubChem (CID 20553412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).