2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)

C37H53N3O14Si2 — CID 173143154

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.OCC(CO)(CO)CO
InChIInChI=1S/C32H38OSi2.C5H12O4.3HNO3/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;6-1-5(2-7,3-8)4-9;3*2-1(3)4/h7-26H,1-6H3;6-9H,1-4H2;3*(H,2,3,4)
InChIKeySCEHUFZWCDEVSP-UHFFFAOYSA-N
MW820.01 g/mol
LogP3.02
Rot. Bonds10

About 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)

2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid) (PubChem CID 173143154) has the molecular formula C37H53N3O14Si2 and a molecular weight of 820.01 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid).

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)
PubChem CID173143154
Molecular FormulaC37H53N3O14Si2
Molecular Weight820.01 g/mol
Exact Mass819.31
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)
SMILESCC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.OCC(CO)(CO)CO
InChIInChI=1S/C32H38OSi2.C5H12O4.3HNO3/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;6-1-5(2-7,3-8)4-9;3*2-1(3)4/h7-26H,1-6H3;6-9H,1-4H2;3*(H,2,3,4)
InChIKeySCEHUFZWCDEVSP-UHFFFAOYSA-N
XLogP3.02
TPSA280.26 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.01
LogP ≤ 53.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(2-nitroethoxy)-diphenylsilane
CID 14974754
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-nitrooxypentan-2-yl] nitrate
CID 58812389
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2,3-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohept-2-enoic acid
CID 70442473

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid) (CID 173143154) is 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid).
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid) is CC(C)(C)[Si](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)?
The InChIKey is SCEHUFZWCDEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38OSi2.C5H12O4.3HNO3/c1-31(2,3)34(27-19-11-7-12-20-27,28-21-13-8-14-22-28)33-35(32(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;6-1-5(2-7,3-8)4-9;3*2-1(3)4/h7-26H,1-6H3;6-9H,1-4H2;3*(H,2,3,4).
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid)?
2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid) has a molecular weight of 820.01 g/mol, XLogP of 3.02, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;tert-butyl-[tert-butyl(diphenyl)silyl]oxy-diphenylsilane;tris(nitric acid) is sourced from PubChem (CID 173143154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).