2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane

C6H11Cl2O3P — CID 23260920

IUPAC2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O3P/c1-5(2)11-12(3,9)10-4-6(7)8/h4-5H,1-3H3
InChIKeyGSHNCRHTKFLGIM-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.53
Rot. Bonds4

About 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane

2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane (PubChem CID 23260920) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane
PubChem CID23260920
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Name2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OC=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O3P/c1-5(2)11-12(3,9)10-4-6(7)8/h4-5H,1-3H3
InChIKeyGSHNCRHTKFLGIM-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Phosphoric acid, 2,2-dichloroethenyl bis(1-methylethyl) ester
CID 97574
2,2-Dichloroethenyl methyl propyl phosphate
CID 199940
2,2-Dichloroethenyl methyl propan-2-yl phosphate
CID 199941
Butan-2-yl 2,2-dichloroethenyl methyl phosphate
CID 214938
2-[[(E)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 135080812
Dipropan-2-yl (dichloromethyl)phosphonate
CID 13354593
Diethyl (2,2-dichloroethenyl)phosphonate
CID 12525122
2-[[(Z)-1,2-dichloroethenyl]-propan-2-yloxyphosphoryl]oxypropane
CID 13501748
2-[1-Chloroethenyl(propan-2-yloxy)phosphoryl]oxypropane
CID 85941489
2,2-Dichlorovinyl methyl ethylphosphonate
CID 129807987
2-[Methyl(2,2,2-trichloroethoxy)phosphoryl]oxypropane
CID 299576
1,1-Dichloro-2-[ethoxy(methyl)phosphoryl]oxyethene
CID 14441040

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane?
The IUPAC name of 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane (CID 23260920) is 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane is CC(C)OP(C)(=O)OC=C(Cl)Cl.
What is the InChIKey of 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane?
The InChIKey is GSHNCRHTKFLGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O3P/c1-5(2)11-12(3,9)10-4-6(7)8/h4-5H,1-3H3.
What are the key properties of 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane?
2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane has a molecular weight of 233.03 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dichloroethenoxy(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 23260920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).