1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane

C9H20Cl2O6P2 — CID 88804604

IUPAC1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane
SMILESC=CP(=O)(OCCCl)OCCCl.COP(C)(=O)OC
InChIInChI=1S/C6H11Cl2O3P.C3H9O3P/c1-2-12(9,10-5-3-7)11-6-4-8;1-5-7(3,4)6-2/h2H,1,3-6H2;1-3H3
InChIKeyLRJMMDMUKCKLEV-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.94
Rot. Bonds9

About 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane

1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane (PubChem CID 88804604) has the molecular formula C9H20Cl2O6P2 and a molecular weight of 357.11 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane
PubChem CID88804604
Molecular FormulaC9H20Cl2O6P2
Molecular Weight357.11 g/mol
Exact Mass356.01
IUPAC Name1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane
SMILESC=CP(=O)(OCCCl)OCCCl.COP(C)(=O)OC
InChIInChI=1S/C6H11Cl2O3P.C3H9O3P/c1-2-12(9,10-5-3-7)11-6-4-8;1-5-7(3,4)6-2/h2H,1,3-6H2;1-3H3
InChIKeyLRJMMDMUKCKLEV-UHFFFAOYSA-N
XLogP3.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane?
The IUPAC name of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane (CID 88804604) is 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane?
The canonical SMILES for 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane is C=CP(=O)(OCCCl)OCCCl.COP(C)(=O)OC.
What is the InChIKey of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane?
The InChIKey is LRJMMDMUKCKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O3P.C3H9O3P/c1-2-12(9,10-5-3-7)11-6-4-8;1-5-7(3,4)6-2/h2H,1,3-6H2;1-3H3.
What are the key properties of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane?
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane has a molecular weight of 357.11 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane is sourced from PubChem (CID 88804604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).