[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane

C15H21BrSi — CID 135075990

IUPAC[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C(Br)/C=C/C1=CCCCC1
InChIInChI=1S/C15H21BrSi/c1-17(2,3)13-7-10-15(16)12-11-14-8-5-4-6-9-14/h8,10-12H,4-6,9H2,1-3H3/b12-11+,15-10-
InChIKeyYLWUUTKUCSNASN-KCSBFEQSSA-N
MW309.32 g/mol
LogP5.20
Rot. Bonds2

About [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane

[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 135075990) has the molecular formula C15H21BrSi and a molecular weight of 309.32 g/mol. Its IUPAC name is [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID135075990
Molecular FormulaC15H21BrSi
Molecular Weight309.32 g/mol
Exact Mass308.06
IUPAC Name[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C(Br)/C=C/C1=CCCCC1
InChIInChI=1S/C15H21BrSi/c1-17(2,3)13-7-10-15(16)12-11-14-8-5-4-6-9-14/h8,10-12H,4-6,9H2,1-3H3/b12-11+,15-10-
InChIKeyYLWUUTKUCSNASN-KCSBFEQSSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane (CID 135075990) is [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C=C(Br)/C=C/C1=CCCCC1.
What is the InChIKey of [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is YLWUUTKUCSNASN-KCSBFEQSSA-N. The full InChI is InChI=1S/C15H21BrSi/c1-17(2,3)13-7-10-15(16)12-11-14-8-5-4-6-9-14/h8,10-12H,4-6,9H2,1-3H3/b12-11+,15-10-.
What are the key properties of [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
[(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 309.32 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-4-bromo-6-(cyclohexen-1-yl)hexa-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135075990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).