[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane

C15H25BrSi — CID 101267048

IUPAC[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C15H25BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10,12-13H,5-9H2,1-4H3/b13-10+,15-12-
InChIKeySDMZNGCNTOZNIZ-SCBZVQIHSA-N
MW313.36 g/mol
LogP5.67
Rot. Bonds6

About [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane

[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 101267048) has the molecular formula C15H25BrSi and a molecular weight of 313.36 g/mol. Its IUPAC name is [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID101267048
Molecular FormulaC15H25BrSi
Molecular Weight313.36 g/mol
Exact Mass312.09
IUPAC Name[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C15H25BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10,12-13H,5-9H2,1-4H3/b13-10+,15-12-
InChIKeySDMZNGCNTOZNIZ-SCBZVQIHSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane (CID 101267048) is [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane is CCCCCC/C=C(Br)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is SDMZNGCNTOZNIZ-SCBZVQIHSA-N. The full InChI is InChI=1S/C15H25BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10,12-13H,5-9H2,1-4H3/b13-10+,15-12-.
What are the key properties of [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane?
[(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 313.36 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-bromododeca-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 101267048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).