tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane

C23H46OSi2 — CID 134943942

IUPACtert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane
SMILESCC(C)[Si](C#C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C23H46OSi2/c1-18(2)26(19(3)4,20(5)6)16-15-21-13-12-14-22(17-21)24-25(10,11)23(7,8)9/h18-22H,12-14,17H2,1-11H3/t21-,22-/m1/s1
InChIKeyZUBTZYDHLNRJLO-FGZHOGPDSA-N
MW394.79 g/mol
LogP7.79
Rot. Bonds5

About tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane (PubChem CID 134943942) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane
PubChem CID134943942
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Nametert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane
SMILESCC(C)[Si](C#C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C23H46OSi2/c1-18(2)26(19(3)4,20(5)6)16-15-21-13-12-14-22(17-21)24-25(10,11)23(7,8)9/h18-22H,12-14,17H2,1-11H3/t21-,22-/m1/s1
InChIKeyZUBTZYDHLNRJLO-FGZHOGPDSA-N
XLogP7.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
CID 101168207
Tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
CID 135008502
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
3,5-Dimethyl-1-tripropylsilyloxycyclohexane
CID 560763
1,3-Dimethyl-5-dimethyl(trimethylsilylmethyl)-silyloxycyclohexane
CID 589987
3,5-Dimethyl-1-tributylsilyloxycyclohexane
CID 622800
3,5-Dimethyl-1-di(tert-butyl)silyloxycyclohexane
CID 6329101
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
CID 14314328
Tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
Triethoxy-[2-(1-trimethylsilyloxycyclohexyl)ethynyl]silane
CID 15965558
Tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
CID 19042200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane (CID 134943942) is tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane is CC(C)[Si](C#C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane?
The InChIKey is ZUBTZYDHLNRJLO-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-18(2)26(19(3)4,20(5)6)16-15-21-13-12-14-22(17-21)24-25(10,11)23(7,8)9/h18-22H,12-14,17H2,1-11H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane has a molecular weight of 394.79 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]oxysilane is sourced from PubChem (CID 134943942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).