tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane

C22H32OSi — CID 134944392

IUPACtert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cccc2ccccc12
InChIInChI=1S/C22H32OSi/c1-22(2,3)24(4,5)23-21-16-9-8-14-20(21)19-15-10-12-17-11-6-7-13-18(17)19/h6-7,10-13,15,20-21H,8-9,14,16H2,1-5H3/t20-,21+/m0/s1
InChIKeyBJYGZIXPMITTAF-LEWJYISDSA-N
MW340.58 g/mol
LogP6.89
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane (PubChem CID 134944392) has the molecular formula C22H32OSi and a molecular weight of 340.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
PubChem CID134944392
Molecular FormulaC22H32OSi
Molecular Weight340.58 g/mol
Exact Mass340.22
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cccc2ccccc12
InChIInChI=1S/C22H32OSi/c1-22(2,3)24(4,5)23-21-16-9-8-14-20(21)19-15-10-12-17-11-6-7-13-18(17)19/h6-7,10-13,15,20-21H,8-9,14,16H2,1-5H3/t20-,21+/m0/s1
InChIKeyBJYGZIXPMITTAF-LEWJYISDSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 56.89
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

[(2R,4aS,10aR)-4a-methyl-1-methylidene-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy-tert-butyl-dimethylsilane
CID 102531514
Triethyl(naphthalen-1-ylmethoxy)silane
CID 10659814
Triethyl(naphthalen-2-ylmethoxy)silane
CID 10754686
Tert-butyl-dimethyl-(naphthalen-1-ylmethoxy)silane
CID 101903422
tert-butyl-dimethyl-[(1R,2S)-2-(2,4,6-trimethylphenyl)cyclohexyl]oxysilane
CID 132967110
tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane
CID 154722428
(1r,2s,3r,5r)-5-Isopropenyl-2-methyl-3-naphthalen-1-yl-cyclohexanol
CID 164890339
trans-(1R,2S)-2-naphthalen-2-ylcyclohexan-1-ol
CID 10823136
trans-(1R,2S)-2-naphthalen-1-ylcyclohexan-1-ol
CID 10944152
trans-(1S,2R)-2-naphthalen-1-ylcyclohexan-1-ol
CID 11790908
2-Isopropyl-5-methylcyclohexyl methyl(1-naphthyl)phenylsilyl ether
CID 13101986
Trimethyl(naphthalen-2-ylmethoxy)silane
CID 15535831

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane (CID 134944392) is tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cccc2ccccc12.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane?
The InChIKey is BJYGZIXPMITTAF-LEWJYISDSA-N. The full InChI is InChI=1S/C22H32OSi/c1-22(2,3)24(4,5)23-21-16-9-8-14-20(21)19-15-10-12-17-11-6-7-13-18(17)19/h6-7,10-13,15,20-21H,8-9,14,16H2,1-5H3/t20-,21+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane has a molecular weight of 340.58 g/mol, XLogP of 6.89, 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-naphthalen-1-ylcyclohexyl]oxysilane is sourced from PubChem (CID 134944392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).