(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane

C14H19BrSi — CID 166637296

IUPAC(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
SMILESC[Si](C)(C)C#CC(Br)CCc1ccccc1
InChIInChI=1S/C14H19BrSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3
InChIKeyJXFKRMHTRFBPRM-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.26
Rot. Bonds3

About (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane

(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane (PubChem CID 166637296) has the molecular formula C14H19BrSi and a molecular weight of 295.30 g/mol. Its IUPAC name is (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
PubChem CID166637296
Molecular FormulaC14H19BrSi
Molecular Weight295.30 g/mol
Exact Mass294.04
IUPAC Name(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
SMILESC[Si](C)(C)C#CC(Br)CCc1ccccc1
InChIInChI=1S/C14H19BrSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3
InChIKeyJXFKRMHTRFBPRM-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl (5-phenyl-1-trimethylsilylpent-1-yn-3-yl) phosphate
CID 164683915
4-methyl-N-(2-phenylethyl)-1-trimethylsilylpent-1-yn-3-amine
CID 135004241
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
CID 101180194
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
CID 11473957
(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane
CID 11183880
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane?
The IUPAC name of (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane (CID 166637296) is (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane?
The canonical SMILES for (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane is C[Si](C)(C)C#CC(Br)CCc1ccccc1.
What is the InChIKey of (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane?
The InChIKey is JXFKRMHTRFBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrSi/c1-16(2,3)12-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3.
What are the key properties of (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane?
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane has a molecular weight of 295.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-phenylpent-1-ynyl)-trimethylsilane is sourced from PubChem (CID 166637296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).