bromo-tris(but-3-enyl)silane

C12H21BrSi — CID 87081832

IUPACbromo-tris(but-3-enyl)silane
SMILESC=CCC[Si](Br)(CCC=C)CCC=C
InChIInChI=1S/C12H21BrSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-6H,1-3,7-12H2
InChIKeyNRNWSZYMJQBZBH-UHFFFAOYSA-N
MW273.29 g/mol
LogP5.06
Rot. Bonds9

About bromo-tris(but-3-enyl)silane

bromo-tris(but-3-enyl)silane (PubChem CID 87081832) has the molecular formula C12H21BrSi and a molecular weight of 273.29 g/mol. Its IUPAC name is bromo-tris(but-3-enyl)silane.

Molecular Properties

Compound Namebromo-tris(but-3-enyl)silane
PubChem CID87081832
Molecular FormulaC12H21BrSi
Molecular Weight273.29 g/mol
Exact Mass272.06
IUPAC Namebromo-tris(but-3-enyl)silane
SMILESC=CCC[Si](Br)(CCC=C)CCC=C
InChIInChI=1S/C12H21BrSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-6H,1-3,7-12H2
InChIKeyNRNWSZYMJQBZBH-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.29
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dibromo-bis(but-3-enyl)silane
CID 87081975
tris(but-3-enyl)-ethenylsilane
CID 91545647
but-3-enyl(trihydroxy)silane;hexakis(yttrium)
CID 20700315
but-3-enyl-dimethylsilyl-dimethylsilane
CID 71327243
but-3-enyl-ethenyl-diethylsilane
CID 173442373
but-3-enyl-ditert-butyl-chlorosilane
CID 22228869
tris(prop-2-enyl)-[2-tris(prop-2-enyl)silylethyl]silane
CID 15878908
CID 87096320
CID 87096320
trichloro(hex-5-enyl)silane
CID 10856932
but-3-enyl-methyl-phenyl-prop-2-enylsilane
CID 175181643
heptacosa-1,26-diene
CID 58905535
(5E)-deca-1,5,9-triene
CID 5362636

Frequently Asked Questions

What is the IUPAC name of bromo-tris(but-3-enyl)silane?
The IUPAC name of bromo-tris(but-3-enyl)silane (CID 87081832) is bromo-tris(but-3-enyl)silane.
What is the SMILES notation for bromo-tris(but-3-enyl)silane?
The canonical SMILES for bromo-tris(but-3-enyl)silane is C=CCC[Si](Br)(CCC=C)CCC=C.
What is the InChIKey of bromo-tris(but-3-enyl)silane?
The InChIKey is NRNWSZYMJQBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-6H,1-3,7-12H2.
What are the key properties of bromo-tris(but-3-enyl)silane?
bromo-tris(but-3-enyl)silane has a molecular weight of 273.29 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tris(but-3-enyl)silane is sourced from PubChem (CID 87081832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).