tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium

C52H85NO5PSi2+ — CID 10866011

IUPACtributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium
SMILESC=C1C[C@H](C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c3coc(C[P+](CCCC)(CCCC)CCCC)n3)O2)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C52H85NO5PSi2/c1-13-16-31-59(32-17-14-2,33-18-15-3)40-50-53-48(39-54-50)49-38-45(58-60(11,12)51(5,6)7)37-44(57-49)36-43-35-41(4)34-42(56-43)29-30-55-61(52(8,9)10,46-25-21-19-22-26-46)47-27-23-20-24-28-47/h19-28,39,42-45,49H,4,13-18,29-38,40H2,1-3,5-12H3/q+1/t42-,43+,44+,45+,49+/m0/s1
InChIKeyQYUOAPGDSQXXSA-PIYNBVBTSA-N
MW891.40 g/mol
LogP13.66
Rot. Bonds22

About tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium

tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium (PubChem CID 10866011) has the molecular formula C52H85NO5PSi2+ and a molecular weight of 891.40 g/mol. Its IUPAC name is tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium.

Molecular Properties

Compound Nametributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium
PubChem CID10866011
Molecular FormulaC52H85NO5PSi2+
Molecular Weight891.40 g/mol
Exact Mass890.57
IUPAC Nametributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium
SMILESC=C1C[C@H](C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c3coc(C[P+](CCCC)(CCCC)CCCC)n3)O2)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C52H85NO5PSi2/c1-13-16-31-59(32-17-14-2,33-18-15-3)40-50-53-48(39-54-50)49-38-45(58-60(11,12)51(5,6)7)37-44(57-49)36-43-35-41(4)34-42(56-43)29-30-55-61(52(8,9)10,46-25-21-19-22-26-46)47-27-23-20-24-28-47/h19-28,39,42-45,49H,4,13-18,29-38,40H2,1-3,5-12H3/q+1/t42-,43+,44+,45+,49+/m0/s1
InChIKeyQYUOAPGDSQXXSA-PIYNBVBTSA-N
XLogP13.66
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.40
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]-chloro-λ5-phosphane
CID 101110948
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
2-[(2R,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1-(2,5-dimethylpyrrol-1-yl)ethanone
CID 57343459
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6R)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 52916326
[(2R,3S,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-3-methylnona-2,4,8-trienyl]-2,4-dimethoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6R)-4-methylidene-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]prop-2-enyl]-3,5-dimethyloxan-4-yl] 2-dimethoxyphosphorylacetate
CID 177397054
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(2R)-4-[(2S,4S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-6-yl]butan-2-ol
CID 101393356
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 11735255
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
(1S,3R,5R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,6-dioxabicyclo[3.2.0]heptan-7-one
CID 102044469

Frequently Asked Questions

What is the IUPAC name of tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium?
The IUPAC name of tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium (CID 10866011) is tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium.
What is the SMILES notation for tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium?
The canonical SMILES for tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium is C=C1C[C@H](C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c3coc(C[P+](CCCC)(CCCC)CCCC)n3)O2)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium?
The InChIKey is QYUOAPGDSQXXSA-PIYNBVBTSA-N. The full InChI is InChI=1S/C52H85NO5PSi2/c1-13-16-31-59(32-17-14-2,33-18-15-3)40-50-53-48(39-54-50)49-38-45(58-60(11,12)51(5,6)7)37-44(57-49)36-43-35-41(4)34-42(56-43)29-30-55-61(52(8,9)10,46-25-21-19-22-26-46)47-27-23-20-24-28-47/h19-28,39,42-45,49H,4,13-18,29-38,40H2,1-3,5-12H3/q+1/t42-,43+,44+,45+,49+/m0/s1.
What are the key properties of tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium?
tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium has a molecular weight of 891.40 g/mol, XLogP of 13.66, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[4-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]methyl]phosphanium is sourced from PubChem (CID 10866011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).