tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane

C18H38OSi — CID 91697346

IUPACtert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h15-16H,7-14,17H2,1-6H3/b16-15+
InChIKeyRYCAUUNFSWKJNY-FOCLMDBBSA-N
MW298.59 g/mol
LogP6.71
Rot. Bonds11

About tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane

tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane (PubChem CID 91697346) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane
PubChem CID91697346
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h15-16H,7-14,17H2,1-6H3/b16-15+
InChIKeyRYCAUUNFSWKJNY-FOCLMDBBSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.71
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl-[(E)-dec-1-enoxy]-dimethylsilane
CID 11065530
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
Tert-butyl-(12,12-difluorododec-4-enoxy)-dimethylsilane
CID 72364187
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
1-Trimethylsilyoxylundec-2-ene
CID 5353184

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane (CID 91697346) is tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane is CCCCCCCCC/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane?
The InChIKey is RYCAUUNFSWKJNY-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-19-20(5,6)18(2,3)4/h15-16H,7-14,17H2,1-6H3/b16-15+.
What are the key properties of tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane has a molecular weight of 298.59 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-dodec-2-enoxy]-dimethylsilane is sourced from PubChem (CID 91697346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).