[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane

C17H23BrSi — CID 11302098

IUPAC[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/C=C(Br)/C=C/C1=CCCCC1
InChIInChI=1S/C17H23BrSi/c1-19(2,3)15-9-5-8-12-17(18)14-13-16-10-6-4-7-11-16/h5,8,10,12-14H,4,6-7,11H2,1-3H3/b8-5+,14-13+,17-12-
InChIKeyLMJFXLJYVKIFLK-ZJIXUPEMSA-N
MW335.36 g/mol
LogP5.76
Rot. Bonds3

About [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane

[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane (PubChem CID 11302098) has the molecular formula C17H23BrSi and a molecular weight of 335.36 g/mol. Its IUPAC name is [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane
PubChem CID11302098
Molecular FormulaC17H23BrSi
Molecular Weight335.36 g/mol
Exact Mass334.08
IUPAC Name[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/C=C(Br)/C=C/C1=CCCCC1
InChIInChI=1S/C17H23BrSi/c1-19(2,3)15-9-5-8-12-17(18)14-13-16-10-6-4-7-11-16/h5,8,10,12-14H,4,6-7,11H2,1-3H3/b8-5+,14-13+,17-12-
InChIKeyLMJFXLJYVKIFLK-ZJIXUPEMSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
CID 11425713
[(E)-2-(2-bromocyclohexen-1-yl)ethenyl]-tert-butyl-dimethylsilane
CID 17756362
[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane
CID 101267048
trimethyl-[(3E,5Z)-5-methyldodeca-3,5-dien-1-ynyl]silane
CID 101267049
[(3E,5Z,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
CID 101267061
[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane
CID 101267062
trimethyl-[(3E,5E,7E)-6-methyltetradeca-3,5,7-trien-1-ynyl]silane
CID 101772639
trimethyl-[(3E,5E)-5-methyldodeca-3,5-dien-1-ynyl]silane
CID 134993891
[(3Z,5E)-6-(cyclohexen-1-yl)-4-methylhexa-3,5-dien-1-ynyl]-trimethylsilane
CID 135070285
[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane
CID 135075990
[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane
CID 135076389
[(Z)-4-[2-[2-(cyclohexen-1-yl)ethynyl]cyclopenten-1-yl]but-3-en-1-ynyl]-trimethylsilane
CID 11066336

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane (CID 11302098) is [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C=C/C=C(Br)/C=C/C1=CCCCC1.
What is the InChIKey of [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane?
The InChIKey is LMJFXLJYVKIFLK-ZJIXUPEMSA-N. The full InChI is InChI=1S/C17H23BrSi/c1-19(2,3)15-9-5-8-12-17(18)14-13-16-10-6-4-7-11-16/h5,8,10,12-14H,4,6-7,11H2,1-3H3/b8-5+,14-13+,17-12-.
What are the key properties of [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane?
[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane has a molecular weight of 335.36 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11302098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).