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

C15H27BrSi — CID 135076389

IUPAC[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C15H27BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10-14H,5-9H2,1-4H3/b13-10+,14-11+,15-12-
InChIKeyPMQBSMHVLDIDNI-DNRQWQMMSA-N
MW315.37 g/mol
LogP6.23
Rot. Bonds8

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

[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane (PubChem CID 135076389) has the molecular formula C15H27BrSi and a molecular weight of 315.37 g/mol. Its IUPAC name is [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane
PubChem CID135076389
Molecular FormulaC15H27BrSi
Molecular Weight315.37 g/mol
Exact Mass314.11
IUPAC Name[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane
SMILESCCCCCC/C=C(Br)/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C15H27BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10-14H,5-9H2,1-4H3/b13-10+,14-11+,15-12-
InChIKeyPMQBSMHVLDIDNI-DNRQWQMMSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 56.23
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane?
The IUPAC name of [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane (CID 135076389) is [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane?
The canonical SMILES for [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane is CCCCCC/C=C(Br)/C=C/C=C/[Si](C)(C)C.
What is the InChIKey of [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane?
The InChIKey is PMQBSMHVLDIDNI-DNRQWQMMSA-N. The full InChI is InChI=1S/C15H27BrSi/c1-5-6-7-8-9-12-15(16)13-10-11-14-17(2,3)4/h10-14H,5-9H2,1-4H3/b13-10+,14-11+,15-12-.
What are the key properties of [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane?
[(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane has a molecular weight of 315.37 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5Z)-5-bromododeca-1,3,5-trienyl]-trimethylsilane is sourced from PubChem (CID 135076389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).