(4-bromo-3-hexylphenyl)-trimethylsilane

C15H25BrSi — CID 59243947

IUPAC(4-bromo-3-hexylphenyl)-trimethylsilane
SMILESCCCCCCc1cc([Si](C)(C)C)ccc1Br
InChIInChI=1S/C15H25BrSi/c1-5-6-7-8-9-13-12-14(17(2,3)4)10-11-15(13)16/h10-12H,5-9H2,1-4H3
InChIKeyOGZGNKLSWPQMAI-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.12
Rot. Bonds6

About (4-bromo-3-hexylphenyl)-trimethylsilane

(4-bromo-3-hexylphenyl)-trimethylsilane (PubChem CID 59243947) has the molecular formula C15H25BrSi and a molecular weight of 313.36 g/mol. Its IUPAC name is (4-bromo-3-hexylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(4-bromo-3-hexylphenyl)-trimethylsilane
PubChem CID59243947
Molecular FormulaC15H25BrSi
Molecular Weight313.36 g/mol
Exact Mass312.09
IUPAC Name(4-bromo-3-hexylphenyl)-trimethylsilane
SMILESCCCCCCc1cc([Si](C)(C)C)ccc1Br
InChIInChI=1S/C15H25BrSi/c1-5-6-7-8-9-13-12-14(17(2,3)4)10-11-15(13)16/h10-12H,5-9H2,1-4H3
InChIKeyOGZGNKLSWPQMAI-UHFFFAOYSA-N
XLogP5.12
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 ≤ 55.12
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'}

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Related Compounds

(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
4-bromo-3-hexylphenol
CID 15007737
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
(4-decylphenyl)-trimethylsilane
CID 69331769
1,2,3-tribromo-4-tetradecylbenzene
CID 22756067
1,2,3-tribromo-4-undecylbenzene
CID 22756063
trimethyl-(6-pentylnaphthalen-2-yl)silane
CID 132535559
1-bromo-2-pentadecyl-4-phenoxybenzene
CID 59297150
[4-[4-[4,5-dibutyl-2-[4-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 102101091
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
1,2-dibromo-4-hexylbenzene
CID 54422362

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-hexylphenyl)-trimethylsilane?
The IUPAC name of (4-bromo-3-hexylphenyl)-trimethylsilane (CID 59243947) is (4-bromo-3-hexylphenyl)-trimethylsilane.
What is the SMILES notation for (4-bromo-3-hexylphenyl)-trimethylsilane?
The canonical SMILES for (4-bromo-3-hexylphenyl)-trimethylsilane is CCCCCCc1cc([Si](C)(C)C)ccc1Br.
What is the InChIKey of (4-bromo-3-hexylphenyl)-trimethylsilane?
The InChIKey is OGZGNKLSWPQMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrSi/c1-5-6-7-8-9-13-12-14(17(2,3)4)10-11-15(13)16/h10-12H,5-9H2,1-4H3.
What are the key properties of (4-bromo-3-hexylphenyl)-trimethylsilane?
(4-bromo-3-hexylphenyl)-trimethylsilane has a molecular weight of 313.36 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-hexylphenyl)-trimethylsilane is sourced from PubChem (CID 59243947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).