[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium

C7H20ClNO4PSi+ — CID 88636837

IUPAC[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(OP(=O)(O)O)[Si](C)(C)Cl
InChIInChI=1S/C7H19ClNO4PSi/c1-9(2,3)6-7(15(4,5)8)13-14(10,11)12/h7H,6H2,1-5H3,(H-,10,11,12)/p+1
InChIKeyFFXNYDOXTLQXGQ-UHFFFAOYSA-O
MW276.75 g/mol
LogP1.15
Rot. Bonds5

About [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium

[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium (PubChem CID 88636837) has the molecular formula C7H20ClNO4PSi+ and a molecular weight of 276.75 g/mol. Its IUPAC name is [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium
PubChem CID88636837
Molecular FormulaC7H20ClNO4PSi+
Molecular Weight276.75 g/mol
Exact Mass276.06
IUPAC Name[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(OP(=O)(O)O)[Si](C)(C)Cl
InChIInChI=1S/C7H19ClNO4PSi/c1-9(2,3)6-7(15(4,5)8)13-14(10,11)12/h7H,6H2,1-5H3,(H-,10,11,12)/p+1
InChIKeyFFXNYDOXTLQXGQ-UHFFFAOYSA-O
XLogP1.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trimethyl-(3-oxo-2-phosphonooxyhex-4-enyl)azanium
CID 160796745
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
2,3-bis[[hydroxy(methyl)phosphoryl]oxy]propyl-trimethylazanium
CID 59991769
(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 19437707
trimethyl-[4-(methylsulfamoyl)-2-phosphonooxybutyl]azanium
CID 151113504
1-(trimethylazaniumyl)butan-2-yl hydrogen phosphate
CID 87076756
trimethyl-(2-octadec-9-enoxy-2-phosphonooxyethyl)azanium
CID 54317765
2-[ethoxy(hydroxy)phosphoryl]oxybutyl-trimethylazanium
CID 150212741
trimethyl-[2-(5-methyl-2-propan-2-ylphenyl)-2-phosphonooxyethyl]azanium
CID 18978191
trimethyl-(2-phosphonooxy-5-tetradecoxypentyl)azanium
CID 88693474
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
calcium;(2-hydroxy-2-phosphonoethyl)-trimethylazanium;tetrahydrate
CID 23618348

Frequently Asked Questions

What is the IUPAC name of [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium?
The IUPAC name of [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium (CID 88636837) is [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium.
What is the SMILES notation for [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium?
The canonical SMILES for [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium is C[N+](C)(C)CC(OP(=O)(O)O)[Si](C)(C)Cl.
What is the InChIKey of [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium?
The InChIKey is FFXNYDOXTLQXGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H19ClNO4PSi/c1-9(2,3)6-7(15(4,5)8)13-14(10,11)12/h7H,6H2,1-5H3,(H-,10,11,12)/p+1.
What are the key properties of [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium?
[2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium has a molecular weight of 276.75 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[chloro(dimethyl)silyl]-2-phosphonooxyethyl]-trimethylazanium is sourced from PubChem (CID 88636837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).