1-bromo-4-butyl-1,4-disilinane

C8H19BrSi2 — CID 172831370

IUPAC1-bromo-4-butyl-1,4-disilinane
SMILESCCCC[SiH]1CC[SiH](Br)CC1
InChIInChI=1S/C8H19BrSi2/c1-2-3-4-10-5-7-11(9)8-6-10/h10-11H,2-8H2,1H3
InChIKeyVODBTGBUSBXUMO-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.15
Rot. Bonds3

About 1-bromo-4-butyl-1,4-disilinane

1-bromo-4-butyl-1,4-disilinane (PubChem CID 172831370) has the molecular formula C8H19BrSi2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-bromo-4-butyl-1,4-disilinane.

Molecular Properties

Compound Name1-bromo-4-butyl-1,4-disilinane
PubChem CID172831370
Molecular FormulaC8H19BrSi2
Molecular Weight251.32 g/mol
Exact Mass250.02
IUPAC Name1-bromo-4-butyl-1,4-disilinane
SMILESCCCC[SiH]1CC[SiH](Br)CC1
InChIInChI=1S/C8H19BrSi2/c1-2-3-4-10-5-7-11(9)8-6-10/h10-11H,2-8H2,1H3
InChIKeyVODBTGBUSBXUMO-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-butyl-1,4-disilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-heptylsilinane
CID 54143052
3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane
CID 175447904
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
2-(1-heptylsilinan-4-yl)acetaldehyde
CID 154079941
undecane;dihydrobromide
CID 172838591
pentane;tetramethylsilane
CID 173025791
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-butyl-1,4-disilinane?
The IUPAC name of 1-bromo-4-butyl-1,4-disilinane (CID 172831370) is 1-bromo-4-butyl-1,4-disilinane.
What is the SMILES notation for 1-bromo-4-butyl-1,4-disilinane?
The canonical SMILES for 1-bromo-4-butyl-1,4-disilinane is CCCC[SiH]1CC[SiH](Br)CC1.
What is the InChIKey of 1-bromo-4-butyl-1,4-disilinane?
The InChIKey is VODBTGBUSBXUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BrSi2/c1-2-3-4-10-5-7-11(9)8-6-10/h10-11H,2-8H2,1H3.
What are the key properties of 1-bromo-4-butyl-1,4-disilinane?
1-bromo-4-butyl-1,4-disilinane has a molecular weight of 251.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-butyl-1,4-disilinane is sourced from PubChem (CID 172831370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).