trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane

C19H40O2Si — CID 140676553

IUPACtrimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane
SMILESCCCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h17H,8-16H2,1-7H3/b18-17+
InChIKeyIOXVFJIZJWEKEO-ISLYRVAYSA-N
MW328.61 g/mol
LogP7.03
Rot. Bonds12

About trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane

trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane (PubChem CID 140676553) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane
PubChem CID140676553
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Nametrimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane
SMILESCCCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h17H,8-16H2,1-7H3/b18-17+
InChIKeyIOXVFJIZJWEKEO-ISLYRVAYSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-methoxyoctadec-1-enoxy]-trimethylsilane
CID 134877174
tert-butyl-[(E)-1-ethoxyoct-1-enoxy]-dimethylsilane
CID 176438051
[(E)-1-methoxyundec-1-enoxy]-trimethylsilane
CID 11492786
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane
CID 89415175
Trimethyl-[1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane
CID 89415176
trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]undeca-1,10-dienoxy]silane
CID 23649958
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]silane
CID 23650467
[(E)-2-ethyl-1-[(2-methylpropan-2-yl)oxy]hex-1-enoxy]-trimethylsilane
CID 23650626
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dec-1-enoxy]silane
CID 23650631
[(1-Ethoxydodec-1-en-1-yl)oxy](trimethyl)silane
CID 71389409
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]pent-1-enoxy]silane
CID 92034964
trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane
CID 101443254

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane?
The IUPAC name of trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane (CID 140676553) is trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane.
What is the SMILES notation for trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane?
The canonical SMILES for trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane is CCCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane?
The InChIKey is IOXVFJIZJWEKEO-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h17H,8-16H2,1-7H3/b18-17+.
What are the key properties of trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane?
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane has a molecular weight of 328.61 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]dodec-1-enoxy]silane is sourced from PubChem (CID 140676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).