1-chloro-2-methoxyethene;yttrium

C3H4ClOY- — CID 59985221

IUPAC1-chloro-2-methoxyethene;yttrium
SMILESCO/[C-]=C/Cl.[Y]
InChIInChI=1S/C3H4ClO.Y/c1-5-3-2-4;/h2H,1H3;/q-1;
InChIKeyGQEPWXDLJCHQQL-UHFFFAOYSA-N
MW180.42 g/mol
LogP1.14
Rot. Bonds1

About 1-chloro-2-methoxyethene;yttrium

1-chloro-2-methoxyethene;yttrium (PubChem CID 59985221) has the molecular formula C3H4ClOY- and a molecular weight of 180.42 g/mol. Its IUPAC name is 1-chloro-2-methoxyethene;yttrium.

Molecular Properties

Compound Name1-chloro-2-methoxyethene;yttrium
PubChem CID59985221
Molecular FormulaC3H4ClOY-
Molecular Weight180.42 g/mol
Exact Mass179.90
IUPAC Name1-chloro-2-methoxyethene;yttrium
SMILESCO/[C-]=C/Cl.[Y]
InChIInChI=1S/C3H4ClO.Y/c1-5-3-2-4;/h2H,1H3;/q-1;
InChIKeyGQEPWXDLJCHQQL-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.42
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-methoxyethene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxyethene;yttrium?
The IUPAC name of 1-chloro-2-methoxyethene;yttrium (CID 59985221) is 1-chloro-2-methoxyethene;yttrium.
What is the SMILES notation for 1-chloro-2-methoxyethene;yttrium?
The canonical SMILES for 1-chloro-2-methoxyethene;yttrium is CO/[C-]=C/Cl.[Y].
What is the InChIKey of 1-chloro-2-methoxyethene;yttrium?
The InChIKey is GQEPWXDLJCHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClO.Y/c1-5-3-2-4;/h2H,1H3;/q-1;.
What are the key properties of 1-chloro-2-methoxyethene;yttrium?
1-chloro-2-methoxyethene;yttrium has a molecular weight of 180.42 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxyethene;yttrium is sourced from PubChem (CID 59985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).