1-chloro-1-dimethoxyphosphorylethene

C4H8ClO3P — CID 54258510

IUPAC1-chloro-1-dimethoxyphosphorylethene
SMILESC=C(Cl)P(=O)(OC)OC
InChIInChI=1S/C4H8ClO3P/c1-4(5)9(6,7-2)8-3/h1H2,2-3H3
InChIKeyRBUGNYPJBAMDRZ-UHFFFAOYSA-N
MW170.53 g/mol
LogP2.18
Rot. Bonds3

About 1-chloro-1-dimethoxyphosphorylethene

1-chloro-1-dimethoxyphosphorylethene (PubChem CID 54258510) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is 1-chloro-1-dimethoxyphosphorylethene.

Molecular Properties

Compound Name1-chloro-1-dimethoxyphosphorylethene
PubChem CID54258510
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Name1-chloro-1-dimethoxyphosphorylethene
SMILESC=C(Cl)P(=O)(OC)OC
InChIInChI=1S/C4H8ClO3P/c1-4(5)9(6,7-2)8-3/h1H2,2-3H3
InChIKeyRBUGNYPJBAMDRZ-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-dimethoxyphosphorylethene?
The IUPAC name of 1-chloro-1-dimethoxyphosphorylethene (CID 54258510) is 1-chloro-1-dimethoxyphosphorylethene.
What is the SMILES notation for 1-chloro-1-dimethoxyphosphorylethene?
The canonical SMILES for 1-chloro-1-dimethoxyphosphorylethene is C=C(Cl)P(=O)(OC)OC.
What is the InChIKey of 1-chloro-1-dimethoxyphosphorylethene?
The InChIKey is RBUGNYPJBAMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-4(5)9(6,7-2)8-3/h1H2,2-3H3.
What are the key properties of 1-chloro-1-dimethoxyphosphorylethene?
1-chloro-1-dimethoxyphosphorylethene has a molecular weight of 170.53 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-dimethoxyphosphorylethene is sourced from PubChem (CID 54258510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).