tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane

C20H52O2Si5 — CID 100923515

IUPACtert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane
SMILESCC(C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](O)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H52O2Si5/c1-18(2,3)20(23(7,8)9,24(10,11)12)27(21,25(13,14)15)22-26(16,17)19(4,5)6/h21H,1-17H3
InChIKeyCBZKDKAXJWRQIG-UHFFFAOYSA-N
MW465.06 g/mol
LogP7.40
Rot. Bonds6

About tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane

tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane (PubChem CID 100923515) has the molecular formula C20H52O2Si5 and a molecular weight of 465.06 g/mol. Its IUPAC name is tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane
PubChem CID100923515
Molecular FormulaC20H52O2Si5
Molecular Weight465.06 g/mol
Exact Mass464.28
IUPAC Nametert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane
SMILESCC(C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](O)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H52O2Si5/c1-18(2,3)20(23(7,8)9,24(10,11)12)27(21,25(13,14)15)22-26(16,17)19(4,5)6/h21H,1-17H3
InChIKeyCBZKDKAXJWRQIG-UHFFFAOYSA-N
XLogP7.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.06
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane (CID 100923515) is tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane is CC(C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](O)(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane?
The InChIKey is CBZKDKAXJWRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H52O2Si5/c1-18(2,3)20(23(7,8)9,24(10,11)12)27(21,25(13,14)15)22-26(16,17)19(4,5)6/h21H,1-17H3.
What are the key properties of tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane?
tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane has a molecular weight of 465.06 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2,2-dimethyl-1,1-bis(trimethylsilyl)propyl]-hydroxy-trimethylsilylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 100923515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).