tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane

C20H40OSi — CID 146167066

IUPACtert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C/C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18/h16-19H,7-15H2,1-6H3/b17-16+
InChIKeyPCICTJXIIATKMD-WUKNDPDISA-N
MW324.63 g/mol
LogP7.09
Rot. Bonds8

About tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 146167066) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
PubChem CID146167066
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C/C1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18/h16-19H,7-15H2,1-6H3/b17-16+
InChIKeyPCICTJXIIATKMD-WUKNDPDISA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(1R,5R)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11064929
[(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
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
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tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
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CID 13228834
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CID 14447627
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(6S)-6-cyclohexyl-2,2-dimethyl-3,6-dihydrooxasiline
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CID 101106397

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane (CID 146167066) is tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane is CCCCCC(/C=C/C1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is PCICTJXIIATKMD-WUKNDPDISA-N. The full InChI is InChI=1S/C20H40OSi/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18/h16-19H,7-15H2,1-6H3/b17-16+.
What are the key properties of tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 324.63 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 146167066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).