1-bromobutylsilane

C4H11BrSi — CID 174507428

IUPAC1-bromobutylsilane
SMILESCCCC([SiH3])Br
InChIInChI=1S/C4H11BrSi/c1-2-3-4(5)6/h4H,2-3H2,1,6H3
InChIKeyACMWGORTWMNQOZ-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.87
Rot. Bonds2

About 1-bromobutylsilane

1-bromobutylsilane (PubChem CID 174507428) has the molecular formula C4H11BrSi and a molecular weight of 167.12 g/mol. Its IUPAC name is 1-bromobutylsilane.

Molecular Properties

Compound Name1-bromobutylsilane
PubChem CID174507428
Molecular FormulaC4H11BrSi
Molecular Weight167.12 g/mol
Exact Mass165.98
IUPAC Name1-bromobutylsilane
SMILESCCCC([SiH3])Br
InChIInChI=1S/C4H11BrSi/c1-2-3-4(5)6/h4H,2-3H2,1,6H3
InChIKeyACMWGORTWMNQOZ-UHFFFAOYSA-N
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.87
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'}

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Related Compounds

3-bromo-2,4-dimethylheptane
CID 79298351
3-bromohexane
CID 18806
1-bromo-1-iodobutane
CID 22138270
4-bromo-5-propyloctane
CID 83050425
2-methylhexan-3-ylsilane
CID 173259699
bromo(tripropyl)phosphanium
CID 177091751
(2S)-2-bromopentan-1-ol
CID 101373163
2-bromo-3-propan-2-ylhexane
CID 63472075
(4S,5S)-5-bromooctan-4-ol
CID 101139699
4-bromo-2,3-dimethylheptane
CID 83051461
2-bromo-3-iodohexane
CID 54541295
(4S)-2-methyl-4-methylsulfanylheptan-3-one
CID 142011947

Frequently Asked Questions

What is the IUPAC name of 1-bromobutylsilane?
The IUPAC name of 1-bromobutylsilane (CID 174507428) is 1-bromobutylsilane.
What is the SMILES notation for 1-bromobutylsilane?
The canonical SMILES for 1-bromobutylsilane is CCCC([SiH3])Br.
What is the InChIKey of 1-bromobutylsilane?
The InChIKey is ACMWGORTWMNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BrSi/c1-2-3-4(5)6/h4H,2-3H2,1,6H3.
What are the key properties of 1-bromobutylsilane?
1-bromobutylsilane has a molecular weight of 167.12 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutylsilane is sourced from PubChem (CID 174507428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).