tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

C52H108Si4 — CID 102174550

IUPACtritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C23[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C52H108Si4/c1-37(2,3)53(38(4,5)6,39(7,8)9)49-50(54(40(10,11)12,41(13,14)15)42(16,17)18)51(49,55(43(19,20)21,44(22,23)24)45(25,26)27)52(49,50)56(46(28,29)30,47(31,32)33)48(34,35)36/h1-36H3
InChIKeyJHRKOTZYEQKKLL-UHFFFAOYSA-N
MW845.78 g/mol
LogP20.39
Rot. Bonds4

About tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (PubChem CID 102174550) has the molecular formula C52H108Si4 and a molecular weight of 845.78 g/mol. Its IUPAC name is tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.

Molecular Properties

Compound Nametritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
PubChem CID102174550
Molecular FormulaC52H108Si4
Molecular Weight845.78 g/mol
Exact Mass844.75
IUPAC Nametritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C23[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C52H108Si4/c1-37(2,3)53(38(4,5)6,39(7,8)9)49-50(54(40(10,11)12,41(13,14)15)42(16,17)18)51(49,55(43(19,20)21,44(22,23)24)45(25,26)27)52(49,50)56(46(28,29)30,47(31,32)33)48(34,35)36/h1-36H3
InChIKeyJHRKOTZYEQKKLL-UHFFFAOYSA-N
XLogP20.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.78
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The IUPAC name of tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (CID 102174550) is tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.
What is the SMILES notation for tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The canonical SMILES for tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C23[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The InChIKey is JHRKOTZYEQKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H108Si4/c1-37(2,3)53(38(4,5)6,39(7,8)9)49-50(54(40(10,11)12,41(13,14)15)42(16,17)18)51(49,55(43(19,20)21,44(22,23)24)45(25,26)27)52(49,50)56(46(28,29)30,47(31,32)33)48(34,35)36/h1-36H3.
What are the key properties of tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane has a molecular weight of 845.78 g/mol, XLogP of 20.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl-[2,3,4-tris(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is sourced from PubChem (CID 102174550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).