tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane

C30H48O2Si2 — CID 101428373

IUPACtert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane
SMILESCCC(/C=C/O[Si](C)(C)C(C)(C)C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48O2Si2/c1-10-26(23-25-31-33(8,9)29(2,3)4)18-17-24-32-34(30(5,6)7,27-19-13-11-14-20-27)28-21-15-12-16-22-28/h11-16,19-23,25-26H,10,17-18,24H2,1-9H3/b25-23+
InChIKeyXDFYVRCHJVTANY-WJTDDFOZSA-N
MW496.88 g/mol
LogP7.90
Rot. Bonds11

About tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane

tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane (PubChem CID 101428373) has the molecular formula C30H48O2Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane
PubChem CID101428373
Molecular FormulaC30H48O2Si2
Molecular Weight496.88 g/mol
Exact Mass496.32
IUPAC Nametert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane
SMILESCCC(/C=C/O[Si](C)(C)C(C)(C)C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48O2Si2/c1-10-26(23-25-31-33(8,9)29(2,3)4)18-17-24-32-34(30(5,6)7,27-19-13-11-14-20-27)28-21-15-12-16-22-28/h11-16,19-23,25-26H,10,17-18,24H2,1-9H3/b25-23+
InChIKeyXDFYVRCHJVTANY-WJTDDFOZSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane (CID 101428373) is tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane is CCC(/C=C/O[Si](C)(C)C(C)(C)C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane?
The InChIKey is XDFYVRCHJVTANY-WJTDDFOZSA-N. The full InChI is InChI=1S/C30H48O2Si2/c1-10-26(23-25-31-33(8,9)29(2,3)4)18-17-24-32-34(30(5,6)7,27-19-13-11-14-20-27)28-21-15-12-16-22-28/h11-16,19-23,25-26H,10,17-18,24H2,1-9H3/b25-23+.
What are the key properties of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane?
tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane has a molecular weight of 496.88 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane is sourced from PubChem (CID 101428373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).