tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane

C25H26Si — CID 11210438

IUPACtert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
SMILESC=C=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H26Si/c1-5-24(21-15-9-6-10-16-21)26(25(2,3)4,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,1H2,2-4H3
InChIKeyDEMRVOPQGCNYPT-UHFFFAOYSA-N
MW354.57 g/mol
LogP5.46
Rot. Bonds4

About tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane

tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane (PubChem CID 11210438) has the molecular formula C25H26Si and a molecular weight of 354.57 g/mol. Its IUPAC name is tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
PubChem CID11210438
Molecular FormulaC25H26Si
Molecular Weight354.57 g/mol
Exact Mass354.18
IUPAC Nametert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane
SMILESC=C=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H26Si/c1-5-24(21-15-9-6-10-16-21)26(25(2,3)4,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,1H2,2-4H3
InChIKeyDEMRVOPQGCNYPT-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
CID 11121676
triphenyl(1-triphenylsilylpropa-1,2-dienyl)silane
CID 518172
2-[tert-butyl(diphenyl)silyl]-N-hydroxy-N-methoxyprop-2-enamide
CID 172805254
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
CID 6312841
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
CID 11146477
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane?
The IUPAC name of tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane (CID 11210438) is tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane.
What is the SMILES notation for tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane?
The canonical SMILES for tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane is C=C=C(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane?
The InChIKey is DEMRVOPQGCNYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Si/c1-5-24(21-15-9-6-10-16-21)26(25(2,3)4,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,1H2,2-4H3.
What are the key properties of tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane?
tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane has a molecular weight of 354.57 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(1-phenylpropa-1,2-dienyl)silane is sourced from PubChem (CID 11210438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).