10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane

C53H74O3Si2 — CID 158352565

IUPAC10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane
SMILESCC(C)(C)[Si](OCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38OSi.C26H36O2Si/c1-5-6-7-8-9-10-11-12-19-24-28-29(27(2,3)4,25-20-15-13-16-21-25)26-22-17-14-18-23-26;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h13-18,20-23H,5-8,11-12,19,24H2,1-4H3;10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3
InChIKeyGSMNHTUDTQQMFS-UHFFFAOYSA-N
MW815.34 g/mol
LogP11.22
Rot. Bonds20

About 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane

10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane (PubChem CID 158352565) has the molecular formula C53H74O3Si2 and a molecular weight of 815.34 g/mol. Its IUPAC name is 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane.

Molecular Properties

Compound Name10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane
PubChem CID158352565
Molecular FormulaC53H74O3Si2
Molecular Weight815.34 g/mol
Exact Mass814.52
IUPAC Name10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane
SMILESCC(C)(C)[Si](OCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38OSi.C26H36O2Si/c1-5-6-7-8-9-10-11-12-19-24-28-29(27(2,3)4,25-20-15-13-16-21-25)26-22-17-14-18-23-26;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h13-18,20-23H,5-8,11-12,19,24H2,1-4H3;10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3
InChIKeyGSMNHTUDTQQMFS-UHFFFAOYSA-N
XLogP11.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.34
LogP ≤ 511.22
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'}

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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
2-Pentyn-1-ol, 5-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10783232
Diethoxytetraphenyldisiloxane
CID 6451719
1,3-Diethoxy-1,1,3,3-tetraphenyldisiloxane
CID 320769
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
(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 11090894
(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
4-Triphenylsilyloxybut-2-yn-1-ol
CID 101129706
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

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane?
The IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane (CID 158352565) is 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane.
What is the SMILES notation for 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane?
The canonical SMILES for 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane is CC(C)(C)[Si](OCCCCC#CCCCCO)(c1ccccc1)c1ccccc1.CCCCCC#CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane?
The InChIKey is GSMNHTUDTQQMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38OSi.C26H36O2Si/c1-5-6-7-8-9-10-11-12-19-24-28-29(27(2,3)4,25-20-15-13-16-21-25)26-22-17-14-18-23-26;1-26(2,3)29(24-18-12-10-13-19-24,25-20-14-11-15-21-25)28-23-17-9-7-5-4-6-8-16-22-27/h13-18,20-23H,5-8,11-12,19,24H2,1-4H3;10-15,18-21,27H,6-9,16-17,22-23H2,1-3H3.
What are the key properties of 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane?
10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane has a molecular weight of 815.34 g/mol, XLogP of 11.22, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(diphenyl)silyl]oxydec-5-yn-1-ol;tert-butyl-diphenyl-undec-5-ynoxysilane is sourced from PubChem (CID 158352565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).