tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane

C31H36N2OSi — CID 14523196

IUPACtert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C31H36N2OSi/c1-7-29(34-35(5,6)30(2,3)4)28-23-33(24-32-28)31(25-17-11-8-12-18-25,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-24,29H,1H2,2-6H3
InChIKeyGRYNODQYUCOGAX-UHFFFAOYSA-N
MW480.73 g/mol
LogP7.97
Rot. Bonds8

About tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane

tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane (PubChem CID 14523196) has the molecular formula C31H36N2OSi and a molecular weight of 480.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane
PubChem CID14523196
Molecular FormulaC31H36N2OSi
Molecular Weight480.73 g/mol
Exact Mass480.26
IUPAC Nametert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C31H36N2OSi/c1-7-29(34-35(5,6)30(2,3)4)28-23-33(24-32-28)31(25-17-11-8-12-18-25,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-24,29H,1H2,2-6H3
InChIKeyGRYNODQYUCOGAX-UHFFFAOYSA-N
XLogP7.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane (CID 14523196) is tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane is C=CC(O[Si](C)(C)C(C)(C)C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane?
The InChIKey is GRYNODQYUCOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2OSi/c1-7-29(34-35(5,6)30(2,3)4)28-23-33(24-32-28)31(25-17-11-8-12-18-25,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-24,29H,1H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane?
tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane has a molecular weight of 480.73 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(1-tritylimidazol-4-yl)prop-2-enoxy]silane is sourced from PubChem (CID 14523196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).