tert-butyl-tris(3,5-dimethylphenyl)silane

C28H36Si — CID 140882065

IUPACtert-butyl-tris(3,5-dimethylphenyl)silane
SMILESCc1cc(C)cc([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C28H36Si/c1-19-10-20(2)14-25(13-19)29(28(7,8)9,26-15-21(3)11-22(4)16-26)27-17-23(5)12-24(6)18-27/h10-18H,1-9H3
InChIKeyCFRHHSZHUDETTF-UHFFFAOYSA-N
MW400.68 g/mol
LogP5.81
Rot. Bonds3

About tert-butyl-tris(3,5-dimethylphenyl)silane

tert-butyl-tris(3,5-dimethylphenyl)silane (PubChem CID 140882065) has the molecular formula C28H36Si and a molecular weight of 400.68 g/mol. Its IUPAC name is tert-butyl-tris(3,5-dimethylphenyl)silane.

Molecular Properties

Compound Nametert-butyl-tris(3,5-dimethylphenyl)silane
PubChem CID140882065
Molecular FormulaC28H36Si
Molecular Weight400.68 g/mol
Exact Mass400.26
IUPAC Nametert-butyl-tris(3,5-dimethylphenyl)silane
SMILESCc1cc(C)cc([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C28H36Si/c1-19-10-20(2)14-25(13-19)29(28(7,8)9,26-15-21(3)11-22(4)16-26)27-17-23(5)12-24(6)18-27/h10-18H,1-9H3
InChIKeyCFRHHSZHUDETTF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(4-methylphenyl)-diphenylsilane
CID 140525033
trichloro-(3,5-dimethylphenyl)silane
CID 68659977
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CID 160506444
chloro-bis(3,5-dimethylphenyl)-methylsilane
CID 66990238
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
tert-butyl-chloro-(3,5-dimethylphenyl)phosphane
CID 175050046
ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473115
tert-butyl-(3-methyl-1,2-oxazol-5-yl)-diphenylsilane
CID 11716759
formonitrile;1,3,5-trimethylbenzene
CID 174826910
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965

Frequently Asked Questions

What is the IUPAC name of tert-butyl-tris(3,5-dimethylphenyl)silane?
The IUPAC name of tert-butyl-tris(3,5-dimethylphenyl)silane (CID 140882065) is tert-butyl-tris(3,5-dimethylphenyl)silane.
What is the SMILES notation for tert-butyl-tris(3,5-dimethylphenyl)silane?
The canonical SMILES for tert-butyl-tris(3,5-dimethylphenyl)silane is Cc1cc(C)cc([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-tris(3,5-dimethylphenyl)silane?
The InChIKey is CFRHHSZHUDETTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Si/c1-19-10-20(2)14-25(13-19)29(28(7,8)9,26-15-21(3)11-22(4)16-26)27-17-23(5)12-24(6)18-27/h10-18H,1-9H3.
What are the key properties of tert-butyl-tris(3,5-dimethylphenyl)silane?
tert-butyl-tris(3,5-dimethylphenyl)silane has a molecular weight of 400.68 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-tris(3,5-dimethylphenyl)silane is sourced from PubChem (CID 140882065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).