tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane

C36H78OSi2 — CID 87872800

IUPACtert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane
SMILESCC(C)(C)C(C(C)(C)C)(C(C)(C)C)[Si](C)(O[Si](C)(C(C)(C)C)C(C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H78OSi2/c1-27(2,3)35(28(4,5)6,29(7,8)9)38(25,33(19,20)21)37-39(26,34(22,23)24)36(30(10,11)12,31(13,14)15)32(16,17)18/h1-26H3
InChIKeyPCIRFSSYCIZXOB-UHFFFAOYSA-N
MW583.19 g/mol
LogP13.51
Rot. Bonds4

About tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane

tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane (PubChem CID 87872800) has the molecular formula C36H78OSi2 and a molecular weight of 583.19 g/mol. Its IUPAC name is tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane
PubChem CID87872800
Molecular FormulaC36H78OSi2
Molecular Weight583.19 g/mol
Exact Mass582.56
IUPAC Nametert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane
SMILESCC(C)(C)C(C(C)(C)C)(C(C)(C)C)[Si](C)(O[Si](C)(C(C)(C)C)C(C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H78OSi2/c1-27(2,3)35(28(4,5)6,29(7,8)9)38(25,33(19,20)21)37-39(26,34(22,23)24)36(30(10,11)12,31(13,14)15)32(16,17)18/h1-26H3
InChIKeyPCIRFSSYCIZXOB-UHFFFAOYSA-N
XLogP13.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.19
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane?
The IUPAC name of tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane (CID 87872800) is tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane.
What is the SMILES notation for tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane?
The canonical SMILES for tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane is CC(C)(C)C(C(C)(C)C)(C(C)(C)C)[Si](C)(O[Si](C)(C(C)(C)C)C(C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane?
The InChIKey is PCIRFSSYCIZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78OSi2/c1-27(2,3)35(28(4,5)6,29(7,8)9)38(25,33(19,20)21)37-39(26,34(22,23)24)36(30(10,11)12,31(13,14)15)32(16,17)18/h1-26H3.
What are the key properties of tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane?
tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane has a molecular weight of 583.19 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilyl]oxy-(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl)-methylsilane is sourced from PubChem (CID 87872800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).