trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

C48H108Si12 — CID 139120144

IUPACtrimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESC[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C
InChIInChI=1S/3C16H36Si4/c3*1-17(2,3)13-14(18(4,5)6)15(13,19(7,8)9)16(13,14)20(10,11)12/h3*1-12H3
InChIKeyVGYDGJCOVFDFLM-UHFFFAOYSA-N
MW1022.42 g/mol
LogP19.02
Rot. Bonds12

About trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (PubChem CID 139120144) has the molecular formula C48H108Si12 and a molecular weight of 1022.42 g/mol. Its IUPAC name is trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.

Molecular Properties

Compound Nametrimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
PubChem CID139120144
Molecular FormulaC48H108Si12
Molecular Weight1022.42 g/mol
Exact Mass1020.57
IUPAC Nametrimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESC[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C
InChIInChI=1S/3C16H36Si4/c3*1-17(2,3)13-14(18(4,5)6)15(13,19(7,8)9)16(13,14)20(10,11)12/h3*1-12H3
InChIKeyVGYDGJCOVFDFLM-UHFFFAOYSA-N
XLogP19.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.42
LogP ≤ 519.02
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 trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The IUPAC name of trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (CID 139120144) is trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.
What is the SMILES notation for trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The canonical SMILES for trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.C[Si](C)(C)C12C3([Si](C)(C)C)C1([Si](C)(C)C)C23[Si](C)(C)C.
What is the InChIKey of trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The InChIKey is VGYDGJCOVFDFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H36Si4/c3*1-17(2,3)13-14(18(4,5)6)15(13,19(7,8)9)16(13,14)20(10,11)12/h3*1-12H3.
What are the key properties of trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane has a molecular weight of 1022.42 g/mol, XLogP of 19.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is sourced from PubChem (CID 139120144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).