1-chloro-1-ethoxyethene

C4H7ClO — CID 12571889

IUPAC1-chloro-1-ethoxyethene
SMILESC=C(Cl)OCC
InChIInChI=1S/C4H7ClO/c1-3-6-4(2)5/h2-3H2,1H3
InChIKeyHAZSOXTUZRFCEW-UHFFFAOYSA-N
MW106.55 g/mol
LogP1.73
Rot. Bonds2

About 1-chloro-1-ethoxyethene

1-chloro-1-ethoxyethene (PubChem CID 12571889) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is 1-chloro-1-ethoxyethene.

Molecular Properties

Compound Name1-chloro-1-ethoxyethene
PubChem CID12571889
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name1-chloro-1-ethoxyethene
SMILESC=C(Cl)OCC
InChIInChI=1S/C4H7ClO/c1-3-6-4(2)5/h2-3H2,1H3
InChIKeyHAZSOXTUZRFCEW-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.73
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-ethoxyethene?
The IUPAC name of 1-chloro-1-ethoxyethene (CID 12571889) is 1-chloro-1-ethoxyethene.
What is the SMILES notation for 1-chloro-1-ethoxyethene?
The canonical SMILES for 1-chloro-1-ethoxyethene is C=C(Cl)OCC.
What is the InChIKey of 1-chloro-1-ethoxyethene?
The InChIKey is HAZSOXTUZRFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO/c1-3-6-4(2)5/h2-3H2,1H3.
What are the key properties of 1-chloro-1-ethoxyethene?
1-chloro-1-ethoxyethene has a molecular weight of 106.55 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethoxyethene is sourced from PubChem (CID 12571889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).