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

C6H11Cl2O3P — CID 12583309

IUPAC1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene
SMILESCCOP(=O)(CC)OC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,4-2)11-5-6(7)8/h5H,3-4H2,1-2H3
InChIKeyWNKKXMZYWKCQHT-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.53
Rot. Bonds5

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

1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene (PubChem CID 12583309) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene.

Molecular Properties

Compound Name1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene
PubChem CID12583309
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Name1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene
SMILESCCOP(=O)(CC)OC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O3P/c1-3-10-12(9,4-2)11-5-6(7)8/h5H,3-4H2,1-2H3
InChIKeyWNKKXMZYWKCQHT-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.53
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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Related Compounds

Dichlorvos
CID 3039
Diethyl (trichloromethyl)phosphonate
CID 70085
2,2-Dichlorovinyl diethyl phosphate
CID 66145
Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
CID 199939
2,2-Dichloroethenyl methyl propyl phosphate
CID 199940
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Ethyl ethyl(trichloromethyl)phosphinate
CID 305826
Phosphonic acid, (1-chloroethenyl)-, diethyl ester
CID 11481045
OO-Dime dichlorovinylphosphonate
CID 12525121
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525126
Dichlorvos water
CID 129720538

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene?
The IUPAC name of 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene (CID 12583309) is 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene.
What is the SMILES notation for 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene?
The canonical SMILES for 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene is CCOP(=O)(CC)OC=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene?
The InChIKey is WNKKXMZYWKCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O3P/c1-3-10-12(9,4-2)11-5-6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene?
1,1-dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene has a molecular weight of 233.03 g/mol, XLogP of 3.53, 5 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(ethyl)phosphoryl]oxyethene is sourced from PubChem (CID 12583309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).