5-(2-bromophenyl)pent-1-ynyl-trimethylsilane

C14H19BrSi — CID 10637612

IUPAC5-(2-bromophenyl)pent-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCCCc1ccccc1Br
InChIInChI=1S/C14H19BrSi/c1-16(2,3)12-8-4-5-9-13-10-6-7-11-14(13)15/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyGVQATZOYUQPGFF-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.65
Rot. Bonds3

About 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane

5-(2-bromophenyl)pent-1-ynyl-trimethylsilane (PubChem CID 10637612) has the molecular formula C14H19BrSi and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5-(2-bromophenyl)pent-1-ynyl-trimethylsilane
PubChem CID10637612
Molecular FormulaC14H19BrSi
Molecular Weight295.30 g/mol
Exact Mass294.04
IUPAC Name5-(2-bromophenyl)pent-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCCCc1ccccc1Br
InChIInChI=1S/C14H19BrSi/c1-16(2,3)12-8-4-5-9-13-10-6-7-11-14(13)15/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyGVQATZOYUQPGFF-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.65
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromophenyl)but-1-ynyl-trimethylsilane
CID 10850388
1-bromo-2-hept-2-ynylbenzene
CID 86241945
trimethyl(4-phenylselanylbut-1-ynyl)silane
CID 102373937
2-[3-(2-bromophenyl)propyl]benzonitrile
CID 102008696
diethyl 2-[(2-bromophenyl)methyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 14713451
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
CID 173152219
3-(2-bromophenyl)propyl methanesulfonate
CID 15364879
2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
CID 82489775

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane?
The IUPAC name of 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane (CID 10637612) is 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane.
What is the SMILES notation for 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane?
The canonical SMILES for 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane is C[Si](C)(C)C#CCCCc1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane?
The InChIKey is GVQATZOYUQPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrSi/c1-16(2,3)12-8-4-5-9-13-10-6-7-11-14(13)15/h6-7,10-11H,4-5,9H2,1-3H3.
What are the key properties of 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane?
5-(2-bromophenyl)pent-1-ynyl-trimethylsilane has a molecular weight of 295.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)pent-1-ynyl-trimethylsilane is sourced from PubChem (CID 10637612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).