11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane

C55H78O3Si2 — CID 158951184

IUPAC11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40OSi.C27H38O2Si/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h14-19,21-24H,5-8,11-13,20,25H2,1-4H3;11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3
InChIKeyJLLGYRQTRMCUJQ-UHFFFAOYSA-N
MW843.40 g/mol
LogP12.00
Rot. Bonds22

About 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane

11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane (PubChem CID 158951184) has the molecular formula C55H78O3Si2 and a molecular weight of 843.40 g/mol. Its IUPAC name is 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane.

Molecular Properties

Compound Name11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane
PubChem CID158951184
Molecular FormulaC55H78O3Si2
Molecular Weight843.40 g/mol
Exact Mass842.55
IUPAC Name11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40OSi.C27H38O2Si/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h14-19,21-24H,5-8,11-13,20,25H2,1-4H3;11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3
InChIKeyJLLGYRQTRMCUJQ-UHFFFAOYSA-N
XLogP12.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.40
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane with MolForge

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Related Compounds

6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-butyl-[(4E,8E)-12-[tert-butyl(diphenyl)silyl]oxydodeca-4,8-dienoxy]-diphenylsilane
CID 11858510
4,4,7,7,11,11,14,14-Octamethyl-2,2,9,9-tetraphenyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne
CID 5251016
(2R,3S)-2-[tert-butyl(diphenyl)silyl]oxy-9-tri(propan-2-yl)silyloxynon-5-yn-3-ol
CID 11124621
tert-butyl-[(3E,5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-3,5-dienoxy]-diphenylsilane
CID 56968344
3-[Dimethyl-[4-tris[4-[3-hydroxypropyl(dimethyl)silyl]phenyl]silylphenyl]silyl]propan-1-ol
CID 101780727
2,4-Bis[[tert-butyl(diphenyl)silyl]oxymethyl]penta-1,4-dien-3-ol
CID 102521382
16-[Tert-butyl(diphenyl)silyl]oxyhexadec-8-yn-7-ol
CID 134846276
1-[Tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol
CID 134866622
1-[Tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxydodeca-5,7-diyne-4,9-diol
CID 134866675
(6E,8E,10E)-14-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilyltetradeca-6,8,10-trien-1-yn-3-ol
CID 134866680
(7E,9E,11E)-15-[tert-butyl(diphenyl)silyl]oxypentadeca-7,9,11-trien-2-yne-1,4-diol
CID 134866681

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane?
The IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane (CID 158951184) is 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane.
What is the SMILES notation for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane?
The canonical SMILES for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane is CC(C)(C)[Si](OCCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane?
The InChIKey is JLLGYRQTRMCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40OSi.C27H38O2Si/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h14-19,21-24H,5-8,11-13,20,25H2,1-4H3;11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3.
What are the key properties of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane?
11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane has a molecular weight of 843.40 g/mol, XLogP of 12.00, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol;tert-butyl-dodec-6-ynoxy-diphenylsilane is sourced from PubChem (CID 158951184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).