[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)

C12H34ClN2O6PSi — CID 88647845

IUPAC[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[Si](C)(Cl)OP(=O)([O-])[O-]
InChIInChI=1S/2C5H14NO.C2H8ClO4PSi/c2*1-6(2,3)4-5-7;1-9(2,3)7-8(4,5)6/h2*7H,4-5H2,1-3H3;1-2H3,(H2,4,5,6)/q2*+1;/p-2
InChIKeyYRASPOOXUUGDGV-UHFFFAOYSA-L
MW396.93 g/mol
LogP-0.86
Rot. Bonds6

About [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)

[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium) (PubChem CID 88647845) has the molecular formula C12H34ClN2O6PSi and a molecular weight of 396.93 g/mol. Its IUPAC name is [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium).

Molecular Properties

Compound Name[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
PubChem CID88647845
Molecular FormulaC12H34ClN2O6PSi
Molecular Weight396.93 g/mol
Exact Mass396.16
IUPAC Name[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[Si](C)(Cl)OP(=O)([O-])[O-]
InChIInChI=1S/2C5H14NO.C2H8ClO4PSi/c2*1-6(2,3)4-5-7;1-9(2,3)7-8(4,5)6/h2*7H,4-5H2,1-3H3;1-2H3,(H2,4,5,6)/q2*+1;/p-2
InChIKeyYRASPOOXUUGDGV-UHFFFAOYSA-L
XLogP-0.86
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
calcium;2-hydroxyethyl(trimethyl)azanium;phosphate;hydrochloride
CID 173268854
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
dibutyl phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87313591
dichlorophosphoryl acetate;2-hydroxyethyl(trimethyl)azanium
CID 88636873
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599

Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)?
The IUPAC name of [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium) (CID 88647845) is [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium).
What is the SMILES notation for [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)?
The canonical SMILES for [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium) is C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[Si](C)(Cl)OP(=O)([O-])[O-].
What is the InChIKey of [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)?
The InChIKey is YRASPOOXUUGDGV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H14NO.C2H8ClO4PSi/c2*1-6(2,3)4-5-7;1-9(2,3)7-8(4,5)6/h2*7H,4-5H2,1-3H3;1-2H3,(H2,4,5,6)/q2*+1;/p-2.
What are the key properties of [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium)?
[chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium) has a molecular weight of 396.93 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(dimethyl)silyl] phosphate;bis(2-hydroxyethyl(trimethyl)azanium) is sourced from PubChem (CID 88647845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).