(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol

C34H48O2Si — CID 153316530

IUPAC(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
SMILESC[C@@H](CCCC#CCCCCCCC#CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H48O2Si/c1-31(25-19-15-13-11-9-7-5-6-8-10-12-14-16-24-30-35)36-37(34(2,3)4,32-26-20-17-21-27-32)33-28-22-18-23-29-33/h17-18,20-23,26-29,31,35H,5-10,15-16,19,24-25,30H2,1-4H3/t31-/m0/s1
InChIKeyCXLADWQTZMUEMZ-HKBQPEDESA-N
MW516.84 g/mol
LogP7.24
Rot. Bonds14

About (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol

(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol (PubChem CID 153316530) has the molecular formula C34H48O2Si and a molecular weight of 516.84 g/mol. Its IUPAC name is (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol.

Molecular Properties

Compound Name(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
PubChem CID153316530
Molecular FormulaC34H48O2Si
Molecular Weight516.84 g/mol
Exact Mass516.34
IUPAC Name(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
SMILESC[C@@H](CCCC#CCCCCCCC#CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H48O2Si/c1-31(25-19-15-13-11-9-7-5-6-8-10-12-14-16-24-30-35)36-37(34(2,3)4,32-26-20-17-21-27-32)33-28-22-18-23-29-33/h17-18,20-23,26-29,31,35H,5-10,15-16,19,24-25,30H2,1-4H3/t31-/m0/s1
InChIKeyCXLADWQTZMUEMZ-HKBQPEDESA-N
XLogP7.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.84
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

16-[tert-butyl(diphenyl)silyl]oxyheptadec-4-yn-1-ol;(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol;methane;molecular hydrogen
CID 158614874
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691

Frequently Asked Questions

What is the IUPAC name of (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol?
The IUPAC name of (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol (CID 153316530) is (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol.
What is the SMILES notation for (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol?
The canonical SMILES for (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol is C[C@@H](CCCC#CCCCCCCC#CCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol?
The InChIKey is CXLADWQTZMUEMZ-HKBQPEDESA-N. The full InChI is InChI=1S/C34H48O2Si/c1-31(25-19-15-13-11-9-7-5-6-8-10-12-14-16-24-30-35)36-37(34(2,3)4,32-26-20-17-21-27-32)33-28-22-18-23-29-33/h17-18,20-23,26-29,31,35H,5-10,15-16,19,24-25,30H2,1-4H3/t31-/m0/s1.
What are the key properties of (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol?
(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol has a molecular weight of 516.84 g/mol, XLogP of 7.24, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol is sourced from PubChem (CID 153316530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).