(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane

C19H21BrSi — CID 173045401

IUPAC(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane
SMILESC#CC(Br)([SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H21BrSi/c1-5-19(20,18(2,3)4)21(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h1,6-15,21H,2-4H3
InChIKeyGVRWHZNBNDNGQA-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.38
Rot. Bonds3

About (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane

(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane (PubChem CID 173045401) has the molecular formula C19H21BrSi and a molecular weight of 357.37 g/mol. Its IUPAC name is (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane.

Molecular Properties

Compound Name(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane
PubChem CID173045401
Molecular FormulaC19H21BrSi
Molecular Weight357.37 g/mol
Exact Mass356.06
IUPAC Name(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane
SMILESC#CC(Br)([SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H21BrSi/c1-5-19(20,18(2,3)4)21(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h1,6-15,21H,2-4H3
InChIKeyGVRWHZNBNDNGQA-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.38
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

bromo-tert-butyl-phenylsilane
CID 123583339
(4,4-dimethyl-3-phenylpent-1-yn-3-yl)oxy-dimethylsilane
CID 173396171
2-methylbut-3-yn-2-ylsulfanylbenzene
CID 86002618
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
N-diphenylsilyl-2-methylpropan-2-amine
CID 101496715
bromo(diphenyl)silane
CID 102303968
ethynyl(diphenyl)tellanium
CID 10905295
CID 136818393
CID 136818393
(1-benzylsilyl-1-phenylethyl)-diphenylsilane
CID 175295857
buta-1,3-diynyl(diphenyl)silane
CID 102404030
3-(2-methylphenyl)penta-1,4-diyn-3-ol
CID 121007327
(2-tert-butylphenyl)-hydroxy-phenylsilane
CID 137327497

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane?
The IUPAC name of (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane (CID 173045401) is (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane.
What is the SMILES notation for (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane?
The canonical SMILES for (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane is C#CC(Br)([SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane?
The InChIKey is GVRWHZNBNDNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrSi/c1-5-19(20,18(2,3)4)21(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h1,6-15,21H,2-4H3.
What are the key properties of (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane?
(3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane has a molecular weight of 357.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4,4-dimethylpent-1-yn-3-yl)-diphenylsilane is sourced from PubChem (CID 173045401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).