tris[tert-butyl(silyl)silyl] phosphite

C12H39O3PSi6 — CID 175448837

IUPACtris[tert-butyl(silyl)silyl] phosphite
SMILESCC(C)(C)[SiH]([SiH3])OP(O[SiH]([SiH3])C(C)(C)C)O[SiH]([SiH3])C(C)(C)C
InChIInChI=1S/C12H39O3PSi6/c1-10(2,3)20(17)13-16(14-21(18)11(4,5)6)15-22(19)12(7,8)9/h20-22H,1-9,17-19H3
InChIKeyJENQCHDPHGIADP-UHFFFAOYSA-N
MW430.93 g/mol
LogP0.42
Rot. Bonds6

About tris[tert-butyl(silyl)silyl] phosphite

tris[tert-butyl(silyl)silyl] phosphite (PubChem CID 175448837) has the molecular formula C12H39O3PSi6 and a molecular weight of 430.93 g/mol. Its IUPAC name is tris[tert-butyl(silyl)silyl] phosphite.

Molecular Properties

Compound Nametris[tert-butyl(silyl)silyl] phosphite
PubChem CID175448837
Molecular FormulaC12H39O3PSi6
Molecular Weight430.93 g/mol
Exact Mass430.13
IUPAC Nametris[tert-butyl(silyl)silyl] phosphite
SMILESCC(C)(C)[SiH]([SiH3])OP(O[SiH]([SiH3])C(C)(C)C)O[SiH]([SiH3])C(C)(C)C
InChIInChI=1S/C12H39O3PSi6/c1-10(2,3)20(17)13-16(14-21(18)11(4,5)6)15-22(19)12(7,8)9/h20-22H,1-9,17-19H3
InChIKeyJENQCHDPHGIADP-UHFFFAOYSA-N
XLogP0.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[tert-butyl(silyl)silyl] phosphite?
The IUPAC name of tris[tert-butyl(silyl)silyl] phosphite (CID 175448837) is tris[tert-butyl(silyl)silyl] phosphite.
What is the SMILES notation for tris[tert-butyl(silyl)silyl] phosphite?
The canonical SMILES for tris[tert-butyl(silyl)silyl] phosphite is CC(C)(C)[SiH]([SiH3])OP(O[SiH]([SiH3])C(C)(C)C)O[SiH]([SiH3])C(C)(C)C.
What is the InChIKey of tris[tert-butyl(silyl)silyl] phosphite?
The InChIKey is JENQCHDPHGIADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H39O3PSi6/c1-10(2,3)20(17)13-16(14-21(18)11(4,5)6)15-22(19)12(7,8)9/h20-22H,1-9,17-19H3.
What are the key properties of tris[tert-butyl(silyl)silyl] phosphite?
tris[tert-butyl(silyl)silyl] phosphite has a molecular weight of 430.93 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[tert-butyl(silyl)silyl] phosphite is sourced from PubChem (CID 175448837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).