methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate

C46H78O6Si3 — CID 132539539

IUPACmethyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate
SMILESC=C[C@H](C)[C@@H](C[C@H](C[C@@H](C[C@@H]1CCC[C@H](CC(=O)OC)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C46H78O6Si3/c1-15-36(5)43(52-54(16-2,17-3)18-4)34-40(50-53(13,14)45(6,7)8)33-39(32-37-26-25-27-38(49-37)35-44(47)48-12)51-55(46(9,10)11,41-28-21-19-22-29-41)42-30-23-20-24-31-42/h15,19-24,28-31,36-40,43H,1,16-18,25-27,32-35H2,2-14H3/t36-,37-,38+,39+,40-,43+/m0/s1
InChIKeyYPSMSBSPWQLZTC-XDCRAUOCSA-N
MW811.38 g/mol
LogP11.21
Rot. Bonds21

About methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate

methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate (PubChem CID 132539539) has the molecular formula C46H78O6Si3 and a molecular weight of 811.38 g/mol. Its IUPAC name is methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate
PubChem CID132539539
Molecular FormulaC46H78O6Si3
Molecular Weight811.38 g/mol
Exact Mass810.51
IUPAC Namemethyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate
SMILESC=C[C@H](C)[C@@H](C[C@H](C[C@@H](C[C@@H]1CCC[C@H](CC(=O)OC)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C46H78O6Si3/c1-15-36(5)43(52-54(16-2,17-3)18-4)34-40(50-53(13,14)45(6,7)8)33-39(32-37-26-25-27-38(49-37)35-44(47)48-12)51-55(46(9,10)11,41-28-21-19-22-29-41)42-30-23-20-24-31-42/h15,19-24,28-31,36-40,43H,1,16-18,25-27,32-35H2,2-14H3/t36-,37-,38+,39+,40-,43+/m0/s1
InChIKeyYPSMSBSPWQLZTC-XDCRAUOCSA-N
XLogP11.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.38
LogP ≤ 511.21
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'}

Analyze methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2R,6S)-6-[(2S,4R,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-7-methyl-8-oxooctyl]oxan-2-yl]acetate
CID 122377861
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
methyl 2-[(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 15347120
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
CID 90961113
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-[chloro(methyl)phosphoryl]butanoate
CID 14750058
tert-butyl-[1-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-iodo-5-(oxan-2-yloxy)pent-3-enoxy]-diphenylsilane
CID 139619866
trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol
CID 24828773
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
tert-butyl-[(2R,3R)-2-[[(6S)-7-[(2S,6S)-6-(iodomethyl)oxan-2-yl]-6-[(4-methoxyphenyl)methoxy]hept-1-en-3-yl]oxy-dimethylsilyl]oxy-3-methylpent-4-enoxy]-diphenylsilane
CID 101214465

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate (CID 132539539) is methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate is C=C[C@H](C)[C@@H](C[C@H](C[C@@H](C[C@@H]1CCC[C@H](CC(=O)OC)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate?
The InChIKey is YPSMSBSPWQLZTC-XDCRAUOCSA-N. The full InChI is InChI=1S/C46H78O6Si3/c1-15-36(5)43(52-54(16-2,17-3)18-4)34-40(50-53(13,14)45(6,7)8)33-39(32-37-26-25-27-38(49-37)35-44(47)48-12)51-55(46(9,10)11,41-28-21-19-22-29-41)42-30-23-20-24-31-42/h15,19-24,28-31,36-40,43H,1,16-18,25-27,32-35H2,2-14H3/t36-,37-,38+,39+,40-,43+/m0/s1.
What are the key properties of methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate?
methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate has a molecular weight of 811.38 g/mol, XLogP of 11.21, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate is sourced from PubChem (CID 132539539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).