2,2-dichloroethenyl dimethyl phosphate;ethanol

C6H13Cl2O5P — CID 163872989

IUPAC2,2-dichloroethenyl dimethyl phosphate;ethanol
SMILESCCO.COP(=O)(OC)OC=C(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P.C2H6O/c1-8-11(7,9-2)10-3-4(5)6;1-2-3/h3H,1-2H3;3H,2H2,1H3
InChIKeyPMLGPTMSHLTRFZ-UHFFFAOYSA-N
MW267.05 g/mol
LogP2.68
Rot. Bonds4

About 2,2-dichloroethenyl dimethyl phosphate;ethanol

2,2-dichloroethenyl dimethyl phosphate;ethanol (PubChem CID 163872989) has the molecular formula C6H13Cl2O5P and a molecular weight of 267.05 g/mol. Its IUPAC name is 2,2-dichloroethenyl dimethyl phosphate;ethanol.

Molecular Properties

Compound Name2,2-dichloroethenyl dimethyl phosphate;ethanol
PubChem CID163872989
Molecular FormulaC6H13Cl2O5P
Molecular Weight267.05 g/mol
Exact Mass265.99
IUPAC Name2,2-dichloroethenyl dimethyl phosphate;ethanol
SMILESCCO.COP(=O)(OC)OC=C(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P.C2H6O/c1-8-11(7,9-2)10-3-4(5)6;1-2-3/h3H,1-2H3;3H,2H2,1H3
InChIKeyPMLGPTMSHLTRFZ-UHFFFAOYSA-N
XLogP2.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.05
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Trichlorfon
CID 5853
Dichlorvos
CID 3039
Demethyldichlorvos
CID 114636
2,2-Dichlorovinyl diethyl phosphate
CID 66145
Diethyl P-(2,2,2-trichloro-1-hydroxyethyl)phosphonate
CID 92144
(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol
CID 6604183
Phosphoric acid, 2,2-dichloroethenyl ethyl methyl ester
CID 199939
2,2-Dichloroethenyl methyl propyl phosphate
CID 199940
Dichlorvos-d6
CID 45038979
Di(2H3)methyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
CID 124202788
Dichlorvos water
CID 129720538
Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester
CID 190329

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethenyl dimethyl phosphate;ethanol?
The IUPAC name of 2,2-dichloroethenyl dimethyl phosphate;ethanol (CID 163872989) is 2,2-dichloroethenyl dimethyl phosphate;ethanol.
What is the SMILES notation for 2,2-dichloroethenyl dimethyl phosphate;ethanol?
The canonical SMILES for 2,2-dichloroethenyl dimethyl phosphate;ethanol is CCO.COP(=O)(OC)OC=C(Cl)Cl.
What is the InChIKey of 2,2-dichloroethenyl dimethyl phosphate;ethanol?
The InChIKey is PMLGPTMSHLTRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O4P.C2H6O/c1-8-11(7,9-2)10-3-4(5)6;1-2-3/h3H,1-2H3;3H,2H2,1H3.
What are the key properties of 2,2-dichloroethenyl dimethyl phosphate;ethanol?
2,2-dichloroethenyl dimethyl phosphate;ethanol has a molecular weight of 267.05 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethenyl dimethyl phosphate;ethanol is sourced from PubChem (CID 163872989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).