[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane

C18H33BrOSi — CID 11696431

IUPAC[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCCC/C=C(Br)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi/c1-8-9-10-11-12-13-17(19)15-14-16(2)20-21(6,7)18(3,4)5/h8,13-16H,1,9-12H2,2-7H3/b15-14+,17-13-
InChIKeyNWPZQWYRFTWSNO-NWDJVLATSA-N
MW373.45 g/mol
LogP6.98
Rot. Bonds9

About [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane

[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11696431) has the molecular formula C18H33BrOSi and a molecular weight of 373.45 g/mol. Its IUPAC name is [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11696431
Molecular FormulaC18H33BrOSi
Molecular Weight373.45 g/mol
Exact Mass372.15
IUPAC Name[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCCC/C=C(Br)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi/c1-8-9-10-11-12-13-17(19)15-14-16(2)20-21(6,7)18(3,4)5/h8,13-16H,1,9-12H2,2-7H3/b15-14+,17-13-
InChIKeyNWPZQWYRFTWSNO-NWDJVLATSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 56.98
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 5353195
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[(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
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[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 24777979
[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267046
[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101267050
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
CID 134888524
[(3E,5Z,7S)-5-bromo-7-methoxydodeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 134942346
[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
CID 146162999
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane (CID 11696431) is [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane is C=CCCCC/C=C(Br)/C=C/C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NWPZQWYRFTWSNO-NWDJVLATSA-N. The full InChI is InChI=1S/C18H33BrOSi/c1-8-9-10-11-12-13-17(19)15-14-16(2)20-21(6,7)18(3,4)5/h8,13-16H,1,9-12H2,2-7H3/b15-14+,17-13-.
What are the key properties of [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane?
[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 373.45 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11696431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).