chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C5H13Cl7N4O2P4 — CID 158906223

IUPACchloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCN=P(C)(Cl)OCCOC.ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1
InChIInChI=1S/C5H13ClNO2P.Cl6N3P3/c1-7-10(3,6)9-5-4-8-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h4-5H2,1-3H3;
InChIKeyJGBQUJRSDZPPDZ-UHFFFAOYSA-N
MW533.25 g/mol
LogP9.45
Rot. Bonds4

About chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 158906223) has the molecular formula C5H13Cl7N4O2P4 and a molecular weight of 533.25 g/mol. Its IUPAC name is chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Namechloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID158906223
Molecular FormulaC5H13Cl7N4O2P4
Molecular Weight533.25 g/mol
Exact Mass529.78
IUPAC Namechloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCN=P(C)(Cl)OCCOC.ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1
InChIInChI=1S/C5H13ClNO2P.Cl6N3P3/c1-7-10(3,6)9-5-4-8-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h4-5H2,1-3H3;
InChIKeyJGBQUJRSDZPPDZ-UHFFFAOYSA-N
XLogP9.45
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.25
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)ethanamine
CID 20715326
tris(2-methoxyethoxy)-trimethylsilylimino-λ5-phosphane
CID 71346562
2-methoxyethoxy(methyl)phosphinate
CID 140680412
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028
2-[2-methoxyethoxy(methyl)phosphoryl]-2-methylpropane
CID 88590797
1,2-dimethoxyethane;samarium
CID 174304250
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;trichlorochromium
CID 175577292
1,2-dimethoxyethane;tetrachlorotungsten
CID 11429944
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
1,2-dimethoxyethane;tetrachlorohafnium
CID 87899976
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649

Frequently Asked Questions

What is the IUPAC name of chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 158906223) is chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is CN=P(C)(Cl)OCCOC.ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1.
What is the InChIKey of chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is JGBQUJRSDZPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClNO2P.Cl6N3P3/c1-7-10(3,6)9-5-4-8-2;1-10(2)7-11(3,4)9-12(5,6)8-10/h4-5H2,1-3H3;.
What are the key properties of chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 533.25 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;2,2,4,4,6,6-hexachloro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 158906223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).