tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane

C32H45NO2SSi2 — CID 58641712

IUPACtert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2CC2(c2cnc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C1
InChIInChI=1S/C32H45NO2SSi2/c1-30(2,3)37(7,8)35-25-19-24-20-32(24,21-25)28-22-33-29(36-28)23-34-38(31(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,22,24-25H,19-21,23H2,1-8H3
InChIKeyFRBGOMZJCHVYGL-UHFFFAOYSA-N
MW563.96 g/mol
LogP7.66
Rot. Bonds8

About tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane

tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane (PubChem CID 58641712) has the molecular formula C32H45NO2SSi2 and a molecular weight of 563.96 g/mol. Its IUPAC name is tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane
PubChem CID58641712
Molecular FormulaC32H45NO2SSi2
Molecular Weight563.96 g/mol
Exact Mass563.27
IUPAC Nametert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2CC2(c2cnc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C1
InChIInChI=1S/C32H45NO2SSi2/c1-30(2,3)37(7,8)35-25-19-24-20-32(24,21-25)28-22-33-29(36-28)23-34-38(31(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,22,24-25H,19-21,23H2,1-8H3
InChIKeyFRBGOMZJCHVYGL-UHFFFAOYSA-N
XLogP7.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.96
LogP ≤ 57.66
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

tert-butyl-diphenyl-[(5-trimethylstannyl-1,3-thiazol-2-yl)methoxy]silane
CID 58641700
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
CID 11519300
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
[9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252741
[(1S,3R,5R)-9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252771
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane (CID 58641712) is tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](C)(C)OC1CC2CC2(c2cnc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C1.
What is the InChIKey of tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane?
The InChIKey is FRBGOMZJCHVYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45NO2SSi2/c1-30(2,3)37(7,8)35-25-19-24-20-32(24,21-25)28-22-33-29(36-28)23-34-38(31(4,5)6,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,22,24-25H,19-21,23H2,1-8H3.
What are the key properties of tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane has a molecular weight of 563.96 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 58641712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).