tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane

C21H36OSi — CID 132967110

IUPACtert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane
SMILESCc1cc(C)c([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C21H36OSi/c1-15-13-16(2)20(17(3)14-15)18-11-9-10-12-19(18)22-23(7,8)21(4,5)6/h13-14,18-19H,9-12H2,1-8H3/t18-,19-/m1/s1
InChIKeySJLJSLGNMATUSL-RTBURBONSA-N
MW332.60 g/mol
LogP6.66
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane (PubChem CID 132967110) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane
PubChem CID132967110
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane
SMILESCc1cc(C)c([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C21H36OSi/c1-15-13-16(2)20(17(3)14-15)18-11-9-10-12-19(18)22-23(7,8)21(4,5)6/h13-14,18-19H,9-12H2,1-8H3/t18-,19-/m1/s1
InChIKeySJLJSLGNMATUSL-RTBURBONSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 56.66
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

tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
CID 132967113
1-[2alpha-(tert-Butyldimethylsilyloxy)cyclohexane-1beta-yl]-4-(trifluoromethyl)benzene
CID 132967114
[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane
CID 134842444
[(2S,3R)-2-cyclohexyl-4-methyl-3-phenyl-2,3-dihydrofuran-5-yl]-triethylsilane
CID 101731004
tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
CID 134944392
Tert-butyl-dimethyl-[11-(2,4,6-trimethylphenyl)undecoxy]silane
CID 176434439
4-[2-(t-Butyldimethylsiloxy) ethyl]styrene
CID 19105419
4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]benzonitrile
CID 134944393
Tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane
CID 57009914
tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
CID 59188213
Tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane
CID 150223744
trans-2-Methylcyclohexanol, benzyldimethylsilyl ether
CID 91697302

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane (CID 132967110) is tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane is Cc1cc(C)c([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane?
The InChIKey is SJLJSLGNMATUSL-RTBURBONSA-N. The full InChI is InChI=1S/C21H36OSi/c1-15-13-16(2)20(17(3)14-15)18-11-9-10-12-19(18)22-23(7,8)21(4,5)6/h13-14,18-19H,9-12H2,1-8H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane has a molecular weight of 332.60 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane is sourced from PubChem (CID 132967110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).