[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate

C35H56O3Si — CID 134839010

IUPAC[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
SMILESCCCCCCCCCCCC[C@@H](COC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-8-9-10-11-12-13-14-15-16-19-24-30(29-37-33(36)34(2,3)4)38-39(35(5,6)7,31-25-20-17-21-26-31)32-27-22-18-23-28-32/h17-18,20-23,25-28,30H,8-16,19,24,29H2,1-7H3/t30-/m0/s1
InChIKeyRJRCQLILIFIUJJ-PMERELPUSA-N
MW552.92 g/mol
LogP8.83
Rot. Bonds17

About [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate

[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate (PubChem CID 134839010) has the molecular formula C35H56O3Si and a molecular weight of 552.92 g/mol. Its IUPAC name is [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
PubChem CID134839010
Molecular FormulaC35H56O3Si
Molecular Weight552.92 g/mol
Exact Mass552.40
IUPAC Name[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
SMILESCCCCCCCCCCCC[C@@H](COC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H56O3Si/c1-8-9-10-11-12-13-14-15-16-19-24-30(29-37-33(36)34(2,3)4)38-39(35(5,6)7,31-25-20-17-21-26-31)32-27-22-18-23-28-32/h17-18,20-23,25-28,30H,8-16,19,24,29H2,1-7H3/t30-/m0/s1
InChIKeyRJRCQLILIFIUJJ-PMERELPUSA-N
XLogP8.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.92
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 10030936
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane
CID 11735422
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate (CID 134839010) is [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate is CCCCCCCCCCCC[C@@H](COC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate?
The InChIKey is RJRCQLILIFIUJJ-PMERELPUSA-N. The full InChI is InChI=1S/C35H56O3Si/c1-8-9-10-11-12-13-14-15-16-19-24-30(29-37-33(36)34(2,3)4)38-39(35(5,6)7,31-25-20-17-21-26-31)32-27-22-18-23-28-32/h17-18,20-23,25-28,30H,8-16,19,24,29H2,1-7H3/t30-/m0/s1.
What are the key properties of [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate?
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate has a molecular weight of 552.92 g/mol, XLogP of 8.83, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134839010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).