tetrakis(1,2-diphenylbutan-2-yl) silicate

C64H68O4Si — CID 139708431

IUPACtetrakis(1,2-diphenylbutan-2-yl) silicate
SMILESCCC(Cc1ccccc1)(O[Si](OC(CC)(Cc1ccccc1)c1ccccc1)(OC(CC)(Cc1ccccc1)c1ccccc1)OC(CC)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C64H68O4Si/c1-5-61(57-41-25-13-26-42-57,49-53-33-17-9-18-34-53)65-69(66-62(6-2,58-43-27-14-28-44-58)50-54-35-19-10-20-36-54,67-63(7-3,59-45-29-15-30-46-59)51-55-37-21-11-22-38-55)68-64(8-4,60-47-31-16-32-48-60)52-56-39-23-12-24-40-56/h9-48H,5-8,49-52H2,1-4H3
InChIKeyGKAWDXPRGUFHAO-UHFFFAOYSA-N
MW929.33 g/mol
LogP15.68
Rot. Bonds24

About tetrakis(1,2-diphenylbutan-2-yl) silicate

tetrakis(1,2-diphenylbutan-2-yl) silicate (PubChem CID 139708431) has the molecular formula C64H68O4Si and a molecular weight of 929.33 g/mol. Its IUPAC name is tetrakis(1,2-diphenylbutan-2-yl) silicate.

Molecular Properties

Compound Nametetrakis(1,2-diphenylbutan-2-yl) silicate
PubChem CID139708431
Molecular FormulaC64H68O4Si
Molecular Weight929.33 g/mol
Exact Mass928.49
IUPAC Nametetrakis(1,2-diphenylbutan-2-yl) silicate
SMILESCCC(Cc1ccccc1)(O[Si](OC(CC)(Cc1ccccc1)c1ccccc1)(OC(CC)(Cc1ccccc1)c1ccccc1)OC(CC)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C64H68O4Si/c1-5-61(57-41-25-13-26-42-57,49-53-33-17-9-18-34-53)65-69(66-62(6-2,58-43-27-14-28-44-58)50-54-35-19-10-20-36-54,67-63(7-3,59-45-29-15-30-46-59)51-55-37-21-11-22-38-55)68-64(8-4,60-47-31-16-32-48-60)52-56-39-23-12-24-40-56/h9-48H,5-8,49-52H2,1-4H3
InChIKeyGKAWDXPRGUFHAO-UHFFFAOYSA-N
XLogP15.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.33
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxy-3,4-diphenylbutan-1-ol
CID 11817715
3-phenylpentan-3-yloxyphosphinous acid
CID 67708350
(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
CID 102088595
2,2-difluorobutylbenzene
CID 12695736
(2-ethyl-2-methylbutyl)benzene
CID 123641908
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
azane;2,2-dimethylbutylbenzene
CID 175285583
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
azane;3-benzylpentan-3-ol
CID 173295411
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
CID 173399358
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,2-diphenylbutan-2-yl) silicate?
The IUPAC name of tetrakis(1,2-diphenylbutan-2-yl) silicate (CID 139708431) is tetrakis(1,2-diphenylbutan-2-yl) silicate.
What is the SMILES notation for tetrakis(1,2-diphenylbutan-2-yl) silicate?
The canonical SMILES for tetrakis(1,2-diphenylbutan-2-yl) silicate is CCC(Cc1ccccc1)(O[Si](OC(CC)(Cc1ccccc1)c1ccccc1)(OC(CC)(Cc1ccccc1)c1ccccc1)OC(CC)(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of tetrakis(1,2-diphenylbutan-2-yl) silicate?
The InChIKey is GKAWDXPRGUFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68O4Si/c1-5-61(57-41-25-13-26-42-57,49-53-33-17-9-18-34-53)65-69(66-62(6-2,58-43-27-14-28-44-58)50-54-35-19-10-20-36-54,67-63(7-3,59-45-29-15-30-46-59)51-55-37-21-11-22-38-55)68-64(8-4,60-47-31-16-32-48-60)52-56-39-23-12-24-40-56/h9-48H,5-8,49-52H2,1-4H3.
What are the key properties of tetrakis(1,2-diphenylbutan-2-yl) silicate?
tetrakis(1,2-diphenylbutan-2-yl) silicate has a molecular weight of 929.33 g/mol, XLogP of 15.68, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2-diphenylbutan-2-yl) silicate is sourced from PubChem (CID 139708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).