(E)-1-chloro-2-methoxyethene

C3H5ClO — CID 6365380

IUPAC(E)-1-chloro-2-methoxyethene
SMILESCO/C=C/Cl
InChIInChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3/b3-2+
InChIKeyQBMJPHAEZNVUOH-NSCUHMNNSA-N
MW92.52 g/mol
LogP1.34
Rot. Bonds1

About (E)-1-chloro-2-methoxyethene

(E)-1-chloro-2-methoxyethene (PubChem CID 6365380) has the molecular formula C3H5ClO and a molecular weight of 92.52 g/mol. Its IUPAC name is (E)-1-chloro-2-methoxyethene.

Molecular Properties

Compound Name(E)-1-chloro-2-methoxyethene
PubChem CID6365380
Molecular FormulaC3H5ClO
Molecular Weight92.52 g/mol
Exact Mass92.00
IUPAC Name(E)-1-chloro-2-methoxyethene
SMILESCO/C=C/Cl
InChIInChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3/b3-2+
InChIKeyQBMJPHAEZNVUOH-NSCUHMNNSA-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 ≤ 50092.52
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 (E)-1-chloro-2-methoxyethene?
The IUPAC name of (E)-1-chloro-2-methoxyethene (CID 6365380) is (E)-1-chloro-2-methoxyethene.
What is the SMILES notation for (E)-1-chloro-2-methoxyethene?
The canonical SMILES for (E)-1-chloro-2-methoxyethene is CO/C=C/Cl.
What is the InChIKey of (E)-1-chloro-2-methoxyethene?
The InChIKey is QBMJPHAEZNVUOH-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3/b3-2+.
What are the key properties of (E)-1-chloro-2-methoxyethene?
(E)-1-chloro-2-methoxyethene has a molecular weight of 92.52 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 (E)-1-chloro-2-methoxyethene is sourced from PubChem (CID 6365380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).