tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane

C16H32OSi — CID 101186809

IUPACtert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C16H32OSi/c1-13(2)15(14-11-9-8-10-12-14)17-18(6,7)16(3,4)5/h9,11,13-15H,8,10,12H2,1-7H3/t14-,15+/m1/s1
InChIKeyLXDBHSRONZOZOY-CABCVRRESA-N
MW268.52 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane (PubChem CID 101186809) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
PubChem CID101186809
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C16H32OSi/c1-13(2)15(14-11-9-8-10-12-14)17-18(6,7)16(3,4)5/h9,11,13-15H,8,10,12H2,1-7H3/t14-,15+/m1/s1
InChIKeyLXDBHSRONZOZOY-CABCVRRESA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.39
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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CID 11543369
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CID 134979966
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
(Bis(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747137
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
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
CID 11077915
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
[(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-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane (CID 101186809) is tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane is CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCCC1.
What is the InChIKey of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane?
The InChIKey is LXDBHSRONZOZOY-CABCVRRESA-N. The full InChI is InChI=1S/C16H32OSi/c1-13(2)15(14-11-9-8-10-12-14)17-18(6,7)16(3,4)5/h9,11,13-15H,8,10,12H2,1-7H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane has a molecular weight of 268.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 101186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).