tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane

C53H90OSi — CID 69009078

IUPACtert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
SMILESCCCCCCCCCCC=CCC=CCCCCCCCCCCCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C53H90OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-45-50-54-55(53(2,3)4,51-46-41-39-42-47-51)52-48-43-40-44-49-52/h14-15,17-18,39-44,46-49H,5-13,16,19-38,45,50H2,1-4H3
InChIKeyQJXYYDRLQCLTCL-UHFFFAOYSA-N
MW771.39 g/mol
LogP16.79
Rot. Bonds37

About tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane

tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane (PubChem CID 69009078) has the molecular formula C53H90OSi and a molecular weight of 771.39 g/mol. Its IUPAC name is tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
PubChem CID69009078
Molecular FormulaC53H90OSi
Molecular Weight771.39 g/mol
Exact Mass770.68
IUPAC Nametert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
SMILESCCCCCCCCCCC=CCC=CCCCCCCCCCCCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C53H90OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-45-50-54-55(53(2,3)4,51-46-41-39-42-47-51)52-48-43-40-44-49-52/h14-15,17-18,39-44,46-49H,5-13,16,19-38,45,50H2,1-4H3
InChIKeyQJXYYDRLQCLTCL-UHFFFAOYSA-N
XLogP16.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds37
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.39
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
CID 23168652
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-[(6S,7E,9E,12E)-17-[tert-butyl(dimethyl)silyl]oxyheptadeca-7,9,12-trien-6-yl]oxy-diphenylsilane
CID 102494449
tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
CID 159347963
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619

Frequently Asked Questions

What is the IUPAC name of tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane?
The IUPAC name of tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane (CID 69009078) is tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane?
The canonical SMILES for tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane is CCCCCCCCCCC=CCC=CCCCCCCCCCCCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane?
The InChIKey is QJXYYDRLQCLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H90OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-45-50-54-55(53(2,3)4,51-46-41-39-42-47-51)52-48-43-40-44-49-52/h14-15,17-18,39-44,46-49H,5-13,16,19-38,45,50H2,1-4H3.
What are the key properties of tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane?
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane has a molecular weight of 771.39 g/mol, XLogP of 16.79, 37 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane is sourced from PubChem (CID 69009078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).