1-bromo-1,3,3-tripropyl-1,3-disilinane

C13H29BrSi2 — CID 163405800

IUPAC1-bromo-1,3,3-tripropyl-1,3-disilinane
SMILESCCC[Si]1(Br)CCC[Si](CCC)(CCC)C1
InChIInChI=1S/C13H29BrSi2/c1-4-8-15(9-5-2)11-7-12-16(14,13-15)10-6-3/h4-13H2,1-3H3
InChIKeyRFSCCEKTJOSRMR-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.95
Rot. Bonds6

About 1-bromo-1,3,3-tripropyl-1,3-disilinane

1-bromo-1,3,3-tripropyl-1,3-disilinane (PubChem CID 163405800) has the molecular formula C13H29BrSi2 and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-bromo-1,3,3-tripropyl-1,3-disilinane.

Molecular Properties

Compound Name1-bromo-1,3,3-tripropyl-1,3-disilinane
PubChem CID163405800
Molecular FormulaC13H29BrSi2
Molecular Weight321.45 g/mol
Exact Mass320.10
IUPAC Name1-bromo-1,3,3-tripropyl-1,3-disilinane
SMILESCCC[Si]1(Br)CCC[Si](CCC)(CCC)C1
InChIInChI=1S/C13H29BrSi2/c1-4-8-15(9-5-2)11-7-12-16(14,13-15)10-6-3/h4-13H2,1-3H3
InChIKeyRFSCCEKTJOSRMR-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.95
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'}

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Related Compounds

1,1-dichloro-3,3-dipropyl-1,3-disilinane
CID 163405820
1,3-dibromo-1,3-dipropyl-1,3-disiletane
CID 163405857
1-bromo-1-dodecylsilinane
CID 174630456
methane;2-methyl-2-propyloxasilinane
CID 159999289
CID 163405947
CID 163405947
1-fluoro-1-pentylsiletane
CID 70160609
difluoro(hydroxy)silane;6-fluoro-2-methyl-2-propyloxasilinane
CID 174571975
2-ethenyl-2-methyloxasilinane;2-methyl-2-propyloxasilinane
CID 174695178
1,1,2,2,3,3,4,4,5,5,6-undecamethyl-6-propylhexasilinane
CID 14944193
butane;2,2-dimethyloxasilinane
CID 175060345
1,1-bis(but-3-ynyl)siletane
CID 123846501
butane;cyclobutane
CID 162002820

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,3,3-tripropyl-1,3-disilinane?
The IUPAC name of 1-bromo-1,3,3-tripropyl-1,3-disilinane (CID 163405800) is 1-bromo-1,3,3-tripropyl-1,3-disilinane.
What is the SMILES notation for 1-bromo-1,3,3-tripropyl-1,3-disilinane?
The canonical SMILES for 1-bromo-1,3,3-tripropyl-1,3-disilinane is CCC[Si]1(Br)CCC[Si](CCC)(CCC)C1.
What is the InChIKey of 1-bromo-1,3,3-tripropyl-1,3-disilinane?
The InChIKey is RFSCCEKTJOSRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrSi2/c1-4-8-15(9-5-2)11-7-12-16(14,13-15)10-6-3/h4-13H2,1-3H3.
What are the key properties of 1-bromo-1,3,3-tripropyl-1,3-disilinane?
1-bromo-1,3,3-tripropyl-1,3-disilinane has a molecular weight of 321.45 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,3,3-tripropyl-1,3-disilinane is sourced from PubChem (CID 163405800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).