tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane

C32H38OSi — CID 154722428

IUPACtert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane
SMILESC[C@H](CC[C@H](C)c1cccc2ccccc12)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H38OSi/c1-25(30-22-14-16-27-15-12-13-21-31(27)30)23-24-26(2)33-34(32(3,4)5,28-17-8-6-9-18-28)29-19-10-7-11-20-29/h6-22,25-26H,23-24H2,1-5H3/t25-,26+/m0/s1
InChIKeyNRKYDLCJINBVFN-IZZNHLLZSA-N
MW466.74 g/mol
LogP7.69
Rot. Bonds8

About tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane

tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane (PubChem CID 154722428) has the molecular formula C32H38OSi and a molecular weight of 466.74 g/mol. Its IUPAC name is tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane
PubChem CID154722428
Molecular FormulaC32H38OSi
Molecular Weight466.74 g/mol
Exact Mass466.27
IUPAC Nametert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane
SMILESC[C@H](CC[C@H](C)c1cccc2ccccc12)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H38OSi/c1-25(30-22-14-16-27-15-12-13-21-31(27)30)23-24-26(2)33-34(32(3,4)5,28-17-8-6-9-18-28)29-19-10-7-11-20-29/h6-22,25-26H,23-24H2,1-5H3/t25-,26+/m0/s1
InChIKeyNRKYDLCJINBVFN-IZZNHLLZSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 57.69
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
tert-butyl-dimethyl-[(1R,2S)-2-naphthalen-1-ylcyclohexyl]oxysilane
CID 134944392
2-Isopropyl-5-methylcyclohexyl methyl(1-naphthyl)phenylsilyl ether
CID 13101986
naphthalen-2-yl-di(propan-2-yl)-[(1S)-1-pyren-1-ylethoxy]silane
CID 139052262
1-[2-[4-ethoxy-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]-1-fluoroethyl]naphthalene
CID 139862635
1-[1-fluoro-2-[4-methoxy-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139863034
1-Fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-(methoxymethyl)cyclohexyl]ethyl]naphthalene
CID 139871409
Silane, diethyldi(2-naphthylmethoxy)-
CID 91717581
Diethoxydi(naphthalen-1-yl)silane
CID 4060878
Tert-butyl-(1,5-diphenylpent-1-ine-3-oxy)-diphenylsilane
CID 89604445
(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10506170
bis[(1R)-1-naphthalen-1-ylprop-2-enoxy]-diphenylsilane
CID 10530672

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane (CID 154722428) is tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane is C[C@H](CC[C@H](C)c1cccc2ccccc12)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane?
The InChIKey is NRKYDLCJINBVFN-IZZNHLLZSA-N. The full InChI is InChI=1S/C32H38OSi/c1-25(30-22-14-16-27-15-12-13-21-31(27)30)23-24-26(2)33-34(32(3,4)5,28-17-8-6-9-18-28)29-19-10-7-11-20-29/h6-22,25-26H,23-24H2,1-5H3/t25-,26+/m0/s1.
What are the key properties of tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane has a molecular weight of 466.74 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5S)-5-naphthalen-1-ylhexan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 154722428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).