ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane

C36H84Br2Si8 — CID 101376613

IUPACditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane
SMILESCC(C)(C)[Si](C)([Si]1=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si@@](Br)([Si](C)(C(C)(C)C)C(C)(C)C)[Si@]1(Br)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H84Br2Si8/c1-29(2,3)41(25,30(4,5)6)39-40(42(26,31(7,8)9)32(10,11)12)46(38,44(28,35(19,20)21)36(22,23)24)45(39,37)43(27,33(13,14)15)34(16,17)18/h1-28H3/t45-,46-/m0/s1
InChIKeyLOYPOYLPOCJQJP-ZYBCLOSLSA-N
MW901.56 g/mol
LogP15.01
Rot. Bonds4

About ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane

ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane (PubChem CID 101376613) has the molecular formula C36H84Br2Si8 and a molecular weight of 901.56 g/mol. Its IUPAC name is ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane.

Molecular Properties

Compound Nameditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane
PubChem CID101376613
Molecular FormulaC36H84Br2Si8
Molecular Weight901.56 g/mol
Exact Mass898.31
IUPAC Nameditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane
SMILESCC(C)(C)[Si](C)([Si]1=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si@@](Br)([Si](C)(C(C)(C)C)C(C)(C)C)[Si@]1(Br)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H84Br2Si8/c1-29(2,3)41(25,30(4,5)6)39-40(42(26,31(7,8)9)32(10,11)12)46(38,44(28,35(19,20)21)36(22,23)24)45(39,37)43(27,33(13,14)15)34(16,17)18/h1-28H3/t45-,46-/m0/s1
InChIKeyLOYPOYLPOCJQJP-ZYBCLOSLSA-N
XLogP15.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.56
LogP ≤ 515.01
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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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane?
The IUPAC name of ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane (CID 101376613) is ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane.
What is the SMILES notation for ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane?
The canonical SMILES for ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane is CC(C)(C)[Si](C)([Si]1=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si@@](Br)([Si](C)(C(C)(C)C)C(C)(C)C)[Si@]1(Br)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane?
The InChIKey is LOYPOYLPOCJQJP-ZYBCLOSLSA-N. The full InChI is InChI=1S/C36H84Br2Si8/c1-29(2,3)41(25,30(4,5)6)39-40(42(26,31(7,8)9)32(10,11)12)46(38,44(28,35(19,20)21)36(22,23)24)45(39,37)43(27,33(13,14)15)34(16,17)18/h1-28H3/t45-,46-/m0/s1.
What are the key properties of ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane?
ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane has a molecular weight of 901.56 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(1S,2S)-1,2-dibromo-2,3,4-tris[ditert-butyl(methyl)silyl]tetrasilet-1-yl]-methylsilane is sourced from PubChem (CID 101376613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).