3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane

C12H28Br2Cl2Si4 — CID 175447904

IUPAC3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane
SMILESCCCC[SiH]1C[SiH](Br)C1Br.CCCC[SiH]1C[Si](Cl)(Cl)C1
InChIInChI=1S/C6H14Br2Si2.C6H14Cl2Si2/c1-2-3-4-9-5-10(8)6(9)7;1-2-3-4-9-5-10(7,8)6-9/h6,9-10H,2-5H2,1H3;9H,2-6H2,1H3
InChIKeyCRWICPHFVFAEKS-UHFFFAOYSA-N
MW515.41 g/mol
LogP5.55
Rot. Bonds6

About 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane

3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane (PubChem CID 175447904) has the molecular formula C12H28Br2Cl2Si4 and a molecular weight of 515.41 g/mol. Its IUPAC name is 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane.

Molecular Properties

Compound Name3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane
PubChem CID175447904
Molecular FormulaC12H28Br2Cl2Si4
Molecular Weight515.41 g/mol
Exact Mass511.90
IUPAC Name3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane
SMILESCCCC[SiH]1C[SiH](Br)C1Br.CCCC[SiH]1C[Si](Cl)(Cl)C1
InChIInChI=1S/C6H14Br2Si2.C6H14Cl2Si2/c1-2-3-4-9-5-10(8)6(9)7;1-2-3-4-9-5-10(7,8)6-9/h6,9-10H,2-5H2,1H3;9H,2-6H2,1H3
InChIKeyCRWICPHFVFAEKS-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.41
LogP ≤ 55.55
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-butyl-1,4-disilinane
CID 172831370
1,1-dibromo-3-propyl-1,3-disiletane
CID 172702517
1-chloro-1,3-dipropyl-1,3-disilinane
CID 172685707
1,3-dibutyl-1,3-dichloro-1,3-disiletane
CID 163405863
4-(bromomethyl)-1-heptylsilinane
CID 54143052
undecane;dihydrobromide
CID 172838591
beryllium;hexane;hydride
CID 173045264
butylazanium;hydride
CID 141334193
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
3-bromo-1-butylpyrrolidine
CID 80676410
CID 176911302
CID 176911302
2-(1-heptylsilinan-4-yl)acetaldehyde
CID 154079941

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane?
The IUPAC name of 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane (CID 175447904) is 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane.
What is the SMILES notation for 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane?
The canonical SMILES for 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane is CCCC[SiH]1C[SiH](Br)C1Br.CCCC[SiH]1C[Si](Cl)(Cl)C1.
What is the InChIKey of 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane?
The InChIKey is CRWICPHFVFAEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Br2Si2.C6H14Cl2Si2/c1-2-3-4-9-5-10(8)6(9)7;1-2-3-4-9-5-10(7,8)6-9/h6,9-10H,2-5H2,1H3;9H,2-6H2,1H3.
What are the key properties of 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane?
3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane has a molecular weight of 515.41 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,1-dichloro-1,3-disiletane;1,2-dibromo-3-butyl-1,3-disiletane is sourced from PubChem (CID 175447904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).