[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide

C41H56IO2PSi — CID 11228048

IUPAC[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.[I-]
InChIInChI=1S/C41H56O2PSi.HI/c1-41(2,3)45(4,5)43-37(35-42-34-36-24-14-10-15-25-36)26-16-8-6-7-9-23-33-44(38-27-17-11-18-28-38,39-29-19-12-20-30-39)40-31-21-13-22-32-40;/h10-15,17-22,24-25,27-32,37H,6-9,16,23,26,33-35H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1
InChIKeyQJGZWOIGMAKIJD-GKEJWYBXSA-M
MW766.86 g/mol
LogP7.32
Rot. Bonds18

About [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide

[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide (PubChem CID 11228048) has the molecular formula C41H56IO2PSi and a molecular weight of 766.86 g/mol. Its IUPAC name is [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide.

Molecular Properties

Compound Name[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
PubChem CID11228048
Molecular FormulaC41H56IO2PSi
Molecular Weight766.86 g/mol
Exact Mass766.28
IUPAC Name[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
SMILESCC(C)(C)[Si](C)(C)O[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.[I-]
InChIInChI=1S/C41H56O2PSi.HI/c1-41(2,3)45(4,5)43-37(35-42-34-36-24-14-10-15-25-36)26-16-8-6-7-9-23-33-44(38-27-17-11-18-28-38,39-29-19-12-20-30-39)40-31-21-13-22-32-40;/h10-15,17-22,24-25,27-32,37H,6-9,16,23,26,33-35H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1
InChIKeyQJGZWOIGMAKIJD-GKEJWYBXSA-M
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.86
LogP ≤ 57.32
H-Bond Donors ≤ 50
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexanoic acid
CID 141260079
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542

Frequently Asked Questions

What is the IUPAC name of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The IUPAC name of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide (CID 11228048) is [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide.
What is the SMILES notation for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The canonical SMILES for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide is CC(C)(C)[Si](C)(C)O[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.[I-].
What is the InChIKey of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The InChIKey is QJGZWOIGMAKIJD-GKEJWYBXSA-M. The full InChI is InChI=1S/C41H56O2PSi.HI/c1-41(2,3)45(4,5)43-37(35-42-34-36-24-14-10-15-25-36)26-16-8-6-7-9-23-33-44(38-27-17-11-18-28-38,39-29-19-12-20-30-39)40-31-21-13-22-32-40;/h10-15,17-22,24-25,27-32,37H,6-9,16,23,26,33-35H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1.
What are the key properties of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide has a molecular weight of 766.86 g/mol, XLogP of 7.32, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide is sourced from PubChem (CID 11228048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).