[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane

C24H26Br2Si2 — CID 122401874

IUPAC[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C(=C(/C#C[Si](C)(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H26Br2Si2/c1-27(2,3)17-15-23(19-7-11-21(25)12-8-19)24(16-18-28(4,5)6)20-9-13-22(26)14-10-20/h7-14H,1-6H3/b24-23+
InChIKeyAETIKQPAXNYYRW-WCWDXBQESA-N
MW530.45 g/mol
LogP7.88
Rot. Bonds2

About [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane

[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane (PubChem CID 122401874) has the molecular formula C24H26Br2Si2 and a molecular weight of 530.45 g/mol. Its IUPAC name is [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
PubChem CID122401874
Molecular FormulaC24H26Br2Si2
Molecular Weight530.45 g/mol
Exact Mass527.99
IUPAC Name[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C(=C(/C#C[Si](C)(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H26Br2Si2/c1-27(2,3)17-15-23(19-7-11-21(25)12-8-19)24(16-18-28(4,5)6)20-9-13-22(26)14-10-20/h7-14H,1-6H3/b24-23+
InChIKeyAETIKQPAXNYYRW-WCWDXBQESA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.45
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane?
The IUPAC name of [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane (CID 122401874) is [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane.
What is the SMILES notation for [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane?
The canonical SMILES for [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane is C[Si](C)(C)C#C/C(=C(/C#C[Si](C)(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane?
The InChIKey is AETIKQPAXNYYRW-WCWDXBQESA-N. The full InChI is InChI=1S/C24H26Br2Si2/c1-27(2,3)17-15-23(19-7-11-21(25)12-8-19)24(16-18-28(4,5)6)20-9-13-22(26)14-10-20/h7-14H,1-6H3/b24-23+.
What are the key properties of [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane?
[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane has a molecular weight of 530.45 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane is sourced from PubChem (CID 122401874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).