1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene

C5H9Cl2O3P — CID 14441040

IUPAC1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene
SMILESCCOP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2O3P/c1-3-9-11(2,8)10-4-5(6)7/h4H,3H2,1-2H3
InChIKeyJWDQKKZGVCAEEL-UHFFFAOYSA-N
MW219.00 g/mol
LogP3.14
Rot. Bonds4

About 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene

1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene (PubChem CID 14441040) has the molecular formula C5H9Cl2O3P and a molecular weight of 219.00 g/mol. Its IUPAC name is 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene.

Molecular Properties

Compound Name1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene
PubChem CID14441040
Molecular FormulaC5H9Cl2O3P
Molecular Weight219.00 g/mol
Exact Mass217.97
IUPAC Name1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene
SMILESCCOP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2O3P/c1-3-9-11(2,8)10-4-5(6)7/h4H,3H2,1-2H3
InChIKeyJWDQKKZGVCAEEL-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.00
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene?
The IUPAC name of 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene (CID 14441040) is 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene.
What is the SMILES notation for 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene?
The canonical SMILES for 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene is CCOP(C)(=O)OC=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene?
The InChIKey is JWDQKKZGVCAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O3P/c1-3-9-11(2,8)10-4-5(6)7/h4H,3H2,1-2H3.
What are the key properties of 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene?
1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene has a molecular weight of 219.00 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene is sourced from PubChem (CID 14441040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).