tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane

C17H34OSi — CID 6442720

IUPACtert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane
SMILESC/C=C(\C)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-14(2)13-15-11-9-10-12-16(15)18-19(6,7)17(3,4)5/h8,15-16H,9-13H2,1-7H3/b14-8+/t15-,16+/m1/s1
InChIKeyISVVKQLEAYNEMA-HVJILKDESA-N
MW282.54 g/mol
LogP5.92
Rot. Bonds4

About tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane (PubChem CID 6442720) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane
PubChem CID6442720
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane
SMILESC/C=C(\C)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-14(2)13-15-11-9-10-12-16(15)18-19(6,7)17(3,4)5/h8,15-16H,9-13H2,1-7H3/b14-8+/t15-,16+/m1/s1
InChIKeyISVVKQLEAYNEMA-HVJILKDESA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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beta-Citronellol, TBDMS derivative
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3,7-Dimethyloct-6-enoxy(triethyl)silane
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tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
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7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
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tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
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tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
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[(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]oxy-tert-butyl-dimethylsilane
CID 11090852
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane (CID 6442720) is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane is C/C=C(\C)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane?
The InChIKey is ISVVKQLEAYNEMA-HVJILKDESA-N. The full InChI is InChI=1S/C17H34OSi/c1-8-14(2)13-15-11-9-10-12-16(15)18-19(6,7)17(3,4)5/h8,15-16H,9-13H2,1-7H3/b14-8+/t15-,16+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-2-methylbut-2-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 6442720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).