dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane

C12H27Br5Si3 — CID 19598824

IUPACdibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane
SMILESCCC(C)[Si](Br)(Br)[Si](Br)(C(C)CC)[Si](Br)(Br)C(C)CC
InChIInChI=1S/C12H27Br5Si3/c1-7-10(4)18(13,14)20(17,12(6)9-3)19(15,16)11(5)8-2/h10-12H,7-9H2,1-6H3
InChIKeyXCIMULHWKWTZGQ-UHFFFAOYSA-N
MW655.13 g/mol
LogP8.35
Rot. Bonds8

About dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane

dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane (PubChem CID 19598824) has the molecular formula C12H27Br5Si3 and a molecular weight of 655.13 g/mol. Its IUPAC name is dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane.

Molecular Properties

Compound Namedibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane
PubChem CID19598824
Molecular FormulaC12H27Br5Si3
Molecular Weight655.13 g/mol
Exact Mass649.73
IUPAC Namedibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane
SMILESCCC(C)[Si](Br)(Br)[Si](Br)(C(C)CC)[Si](Br)(Br)C(C)CC
InChIInChI=1S/C12H27Br5Si3/c1-7-10(4)18(13,14)20(17,12(6)9-3)19(15,16)11(5)8-2/h10-12H,7-9H2,1-6H3
InChIKeyXCIMULHWKWTZGQ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.13
LogP ≤ 58.35
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

tribromo-[dibromo(butan-2-yl)silyl]silane
CID 19598837
tribromo-[bromo-di(butan-2-yl)silyl]silane
CID 19598849
bromo-butan-2-yl-dimethoxysilane
CID 175042063
butan-2-yl-dichloro-methylsilane
CID 24962724
bromo-butan-2-yl-diethoxysilane
CID 175042762
tri(butan-2-yl)-tri(butan-2-yl)silyloxysilane
CID 90312866
di(butan-2-yl)-dimethoxysilane
CID 11687104
tri(butan-2-yl)-propylsilane
CID 140649527
CID 164983427
CID 164983427
N-[di(butan-2-yl)-(diethylamino)silyl]-N-ethylethanamine
CID 87334261
di(butan-2-yl)-[di(butan-2-yl)-ethylsilyl]oxy-ethylsilane
CID 90312723
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736

Frequently Asked Questions

What is the IUPAC name of dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane?
The IUPAC name of dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane (CID 19598824) is dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane.
What is the SMILES notation for dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane?
The canonical SMILES for dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane is CCC(C)[Si](Br)(Br)[Si](Br)(C(C)CC)[Si](Br)(Br)C(C)CC.
What is the InChIKey of dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane?
The InChIKey is XCIMULHWKWTZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27Br5Si3/c1-7-10(4)18(13,14)20(17,12(6)9-3)19(15,16)11(5)8-2/h10-12H,7-9H2,1-6H3.
What are the key properties of dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane?
dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane has a molecular weight of 655.13 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[bromo-butan-2-yl-[dibromo(butan-2-yl)silyl]silyl]-butan-2-ylsilane is sourced from PubChem (CID 19598824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).