10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid

C35H56O3Si — CID 123768020

IUPAC10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
SMILESCCCCCCCCCC(CCCCCCCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-5-6-7-8-9-12-17-24-31(25-18-13-10-11-14-23-30-34(36)37)38-39(35(2,3)4,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h15-16,19-22,26-29,31H,5-14,17-18,23-25,30H2,1-4H3,(H,36,37)
InChIKeyQBOXYCNJDFZZFI-UHFFFAOYSA-N
MW552.92 g/mol
LogP9.28
Rot. Bonds21

About 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid

10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid (PubChem CID 123768020) has the molecular formula C35H56O3Si and a molecular weight of 552.92 g/mol. Its IUPAC name is 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid.

Molecular Properties

Compound Name10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
PubChem CID123768020
Molecular FormulaC35H56O3Si
Molecular Weight552.92 g/mol
Exact Mass552.40
IUPAC Name10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
SMILESCCCCCCCCCC(CCCCCCCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-5-6-7-8-9-12-17-24-31(25-18-13-10-11-14-23-30-34(36)37)38-39(35(2,3)4,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h15-16,19-22,26-29,31H,5-14,17-18,23-25,30H2,1-4H3,(H,36,37)
InChIKeyQBOXYCNJDFZZFI-UHFFFAOYSA-N
XLogP9.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.92
LogP ≤ 59.28
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'}

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Related Compounds

tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
5-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(diphenyl)silyl]oxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]pentanoic acid
CID 71613731
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid?
The IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid (CID 123768020) is 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid.
What is the SMILES notation for 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid?
The canonical SMILES for 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid is CCCCCCCCCC(CCCCCCCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid?
The InChIKey is QBOXYCNJDFZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56O3Si/c1-5-6-7-8-9-12-17-24-31(25-18-13-10-11-14-23-30-34(36)37)38-39(35(2,3)4,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h15-16,19-22,26-29,31H,5-14,17-18,23-25,30H2,1-4H3,(H,36,37).
What are the key properties of 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid?
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid has a molecular weight of 552.92 g/mol, XLogP of 9.28, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid is sourced from PubChem (CID 123768020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).