[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane

C17H33BrOSi — CID 101267050

IUPAC[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-7-8-9-10-11-13-16(18)14-12-15-19-20(5,6)17(2,3)4/h12-14H,7-11,15H2,1-6H3/b14-12+,16-13-
InChIKeyOEYWWSQPYULBDM-QLKCLSONSA-N
MW361.44 g/mol
LogP6.81
Rot. Bonds9

About [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane

[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 101267050) has the molecular formula C17H33BrOSi and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
PubChem CID101267050
Molecular FormulaC17H33BrOSi
Molecular Weight361.44 g/mol
Exact Mass360.15
IUPAC Name[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-7-8-9-10-11-13-16(18)14-12-15-19-20(5,6)17(2,3)4/h12-14H,7-11,15H2,1-6H3/b14-12+,16-13-
InChIKeyOEYWWSQPYULBDM-QLKCLSONSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.81
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trans-2-Decen-1-ol, tert-butyldimethylsilyl ether
CID 13033704
trans-2-Dodecen-1-ol, tert-butyldimethylsilyl ether
CID 91697346
[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
[(2R,3Z,5E)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11325899
[(2R,3Z,5Z)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 12118841
tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane
CID 46218442
[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267046
tert-butyl-dimethyl-[(2E,4Z)-4-methylundeca-2,4-dienoxy]silane
CID 101267051
tert-butyl-dimethyl-[(E)-2-methylidenedec-3-enoxy]silane
CID 134916503
[(2R,3Z,5E)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008496
[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008580
[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
CID 138984605

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane (CID 101267050) is [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane is CCCCCC/C=C(Br)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is OEYWWSQPYULBDM-QLKCLSONSA-N. The full InChI is InChI=1S/C17H33BrOSi/c1-7-8-9-10-11-13-16(18)14-12-15-19-20(5,6)17(2,3)4/h12-14H,7-11,15H2,1-6H3/b14-12+,16-13-.
What are the key properties of [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane?
[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 361.44 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101267050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).