[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium

C37H48O2PSi+ — CID 11204825

IUPAC[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
SMILESC[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C37H48O2PSi/c1-31(36(38-29-32-19-11-7-12-20-32)27-28-39-41(5,6)37(2,3)4)30-40(33-21-13-8-14-22-33,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31,36H,27-30H2,1-6H3/q+1/t31-,36+/m0/s1
InChIKeyYSDNZRNCVIQVRU-SVXHESJVSA-N
MW583.85 g/mol
LogP8.61
Rot. Bonds13

About [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium

[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium (PubChem CID 11204825) has the molecular formula C37H48O2PSi+ and a molecular weight of 583.85 g/mol. Its IUPAC name is [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
PubChem CID11204825
Molecular FormulaC37H48O2PSi+
Molecular Weight583.85 g/mol
Exact Mass583.32
IUPAC Name[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
SMILESC[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C37H48O2PSi/c1-31(36(38-29-32-19-11-7-12-20-32)27-28-39-41(5,6)37(2,3)4)30-40(33-21-13-8-14-22-33,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31,36H,27-30H2,1-6H3/q+1/t31-,36+/m0/s1
InChIKeyYSDNZRNCVIQVRU-SVXHESJVSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.85
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
[(2R,3R,4S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyl-3-phenylmethoxyheptyl] 2,2-dimethylpropanoate
CID 71513942
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
(E,2S,3S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyhept-4-en-3-ol
CID 101339691
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
ethyl (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-phenyl-4-phenylmethoxypentanoate
CID 101186285
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium?
The IUPAC name of [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium (CID 11204825) is [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium.
What is the SMILES notation for [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium?
The canonical SMILES for [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium is C[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium?
The InChIKey is YSDNZRNCVIQVRU-SVXHESJVSA-N. The full InChI is InChI=1S/C37H48O2PSi/c1-31(36(38-29-32-19-11-7-12-20-32)27-28-39-41(5,6)37(2,3)4)30-40(33-21-13-8-14-22-33,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,31,36H,27-30H2,1-6H3/q+1/t31-,36+/m0/s1.
What are the key properties of [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium?
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium has a molecular weight of 583.85 g/mol, XLogP of 8.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium is sourced from PubChem (CID 11204825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).