tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane

C30H40OSi — CID 134925581

IUPACtert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
SMILESC[C@@H](CC[C@H](C)Cc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40OSi/c1-25(23-27-15-9-6-10-16-27)21-22-26(2)24-31-32(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26H,21-24H2,1-5H3/t25-,26-/m0/s1
InChIKeyJWDUJJCIFIMCGT-UIOOFZCWSA-N
MW444.74 g/mol
LogP6.86
Rot. Bonds10

About tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane

tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane (PubChem CID 134925581) has the molecular formula C30H40OSi and a molecular weight of 444.74 g/mol. Its IUPAC name is tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
PubChem CID134925581
Molecular FormulaC30H40OSi
Molecular Weight444.74 g/mol
Exact Mass444.28
IUPAC Nametert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
SMILESC[C@@H](CC[C@H](C)Cc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40OSi/c1-25(23-27-15-9-6-10-16-27)21-22-26(2)24-31-32(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26H,21-24H2,1-5H3/t25-,26-/m0/s1
InChIKeyJWDUJJCIFIMCGT-UIOOFZCWSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoic acid
CID 69284121
[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane (CID 134925581) is tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane is C[C@@H](CC[C@H](C)Cc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane?
The InChIKey is JWDUJJCIFIMCGT-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H40OSi/c1-25(23-27-15-9-6-10-16-27)21-22-26(2)24-31-32(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26H,21-24H2,1-5H3/t25-,26-/m0/s1.
What are the key properties of tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane?
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane has a molecular weight of 444.74 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane is sourced from PubChem (CID 134925581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).