3-bromoprop-1-ynyl-butyl-diphenylsilane

C19H21BrSi — CID 69303653

IUPAC3-bromoprop-1-ynyl-butyl-diphenylsilane
SMILESCCCC[Si](C#CCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21BrSi/c1-2-3-16-21(17-10-15-20,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,2-3,15-16H2,1H3
InChIKeyYQBOKOCGNIVPQU-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.99
Rot. Bonds5

About 3-bromoprop-1-ynyl-butyl-diphenylsilane

3-bromoprop-1-ynyl-butyl-diphenylsilane (PubChem CID 69303653) has the molecular formula C19H21BrSi and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-bromoprop-1-ynyl-butyl-diphenylsilane.

Molecular Properties

Compound Name3-bromoprop-1-ynyl-butyl-diphenylsilane
PubChem CID69303653
Molecular FormulaC19H21BrSi
Molecular Weight357.37 g/mol
Exact Mass356.06
IUPAC Name3-bromoprop-1-ynyl-butyl-diphenylsilane
SMILESCCCC[Si](C#CCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21BrSi/c1-2-3-16-21(17-10-15-20,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,2-3,15-16H2,1H3
InChIKeyYQBOKOCGNIVPQU-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.99
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

butyl-dimethoxy-phenylsilane
CID 66773516
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
butyl-dihydroxy-phenylsilane
CID 23312649
iodo-methyl-octyl-phenylsilane
CID 154486879
butyl-methoxy-[methyl(diphenyl)silyl]-phenylsilane
CID 90686428
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
icosyl-dimethyl-phenylsilane
CID 91054385
butyl-[dimethyl(phenyl)silyl]oxy-dimethylsilane
CID 167313973
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
(2S)-2-[dimethyl(phenyl)silyl]hexan-1-ol
CID 10752326

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ynyl-butyl-diphenylsilane?
The IUPAC name of 3-bromoprop-1-ynyl-butyl-diphenylsilane (CID 69303653) is 3-bromoprop-1-ynyl-butyl-diphenylsilane.
What is the SMILES notation for 3-bromoprop-1-ynyl-butyl-diphenylsilane?
The canonical SMILES for 3-bromoprop-1-ynyl-butyl-diphenylsilane is CCCC[Si](C#CCBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromoprop-1-ynyl-butyl-diphenylsilane?
The InChIKey is YQBOKOCGNIVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrSi/c1-2-3-16-21(17-10-15-20,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,2-3,15-16H2,1H3.
What are the key properties of 3-bromoprop-1-ynyl-butyl-diphenylsilane?
3-bromoprop-1-ynyl-butyl-diphenylsilane has a molecular weight of 357.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-ynyl-butyl-diphenylsilane is sourced from PubChem (CID 69303653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).