1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one

C58H100O6Si3 — CID 101201670

IUPAC1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one
SMILESCC(C)[Si](OCC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2O[C@H](C[C@@H](/C=C/C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C)O1)(C(C)C)C(C)C
InChIInChI=1S/C58H100O6Si3/c1-41(2)65(42(3)4,43(5)6)60-35-33-50-39-53(64-67(58(17,18)19,54-26-22-20-23-27-54)55-28-24-21-25-29-55)40-52(61-50)36-48(59)37-56-47(13)30-31-49(62-56)38-51(32-34-57(14,15)16)63-66(44(7)8,45(9)10)46(11)12/h20-29,32,34,41-47,49-53,56H,30-31,33,35-40H2,1-19H3/b34-32+/t47-,49-,50-,51+,52+,53-,56+/m0/s1
InChIKeyRWNPINBKKNZSAM-VOHKHNCPSA-N
MW977.69 g/mol
LogP15.15
Rot. Bonds23

About 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one

1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one (PubChem CID 101201670) has the molecular formula C58H100O6Si3 and a molecular weight of 977.69 g/mol. Its IUPAC name is 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one
PubChem CID101201670
Molecular FormulaC58H100O6Si3
Molecular Weight977.69 g/mol
Exact Mass976.68
IUPAC Name1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one
SMILESCC(C)[Si](OCC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2O[C@H](C[C@@H](/C=C/C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C)O1)(C(C)C)C(C)C
InChIInChI=1S/C58H100O6Si3/c1-41(2)65(42(3)4,43(5)6)60-35-33-50-39-53(64-67(58(17,18)19,54-26-22-20-23-27-54)55-28-24-21-25-29-55)40-52(61-50)36-48(59)37-56-47(13)30-31-49(62-56)38-51(32-34-57(14,15)16)63-66(44(7)8,45(9)10)46(11)12/h20-29,32,34,41-47,49-53,56H,30-31,33,35-40H2,1-19H3/b34-32+/t47-,49-,50-,51+,52+,53-,56+/m0/s1
InChIKeyRWNPINBKKNZSAM-VOHKHNCPSA-N
XLogP15.15
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.69
LogP ≤ 515.15
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 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
[(E,2R)-1-[(2S,5S,6R)-6-[(2S)-3-[(2R,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-[(4-methoxyphenyl)methoxy]ethyl]oxan-2-yl]-2-methoxypropyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl] acetate
CID 11764367
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
2-[(2S,3S,6R)-6-[(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-3-methyloxan-2-yl]ethyl benzoate
CID 11166757
propan-2-yl (2S,5S,6R)-6-[(2S)-3-[(2R,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(cyanomethyl)oxan-2-yl]-2-methoxypropyl]-5-methyloxane-2-carboxylate
CID 102208366
3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate
CID 11388218
tert-butyl-[2-[(2R,4S,6S)-6-[[(2S,6R)-6-[(2R,3E,5S,6R,7E)-8-iodo-6-[(4-methoxyphenyl)methoxy]-2,5-dimethylocta-3,7-dienyl]oxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethoxy]-diphenylsilane
CID 46176772
1-[(2R,3S,6S)-6-[(Z,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]propan-2-one
CID 177390551
(E)-1-[(2S,5S,6R)-6-[(2S)-2-methoxy-3-[(2R,4R,6S)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-one
CID 11181668
(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
(1S,3R,5R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,6-dioxabicyclo[3.2.0]heptan-7-one
CID 102044469
tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane
CID 11467432

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one (CID 101201670) is 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one is CC(C)[Si](OCC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2O[C@H](C[C@@H](/C=C/C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]2C)O1)(C(C)C)C(C)C.
What is the InChIKey of 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one?
The InChIKey is RWNPINBKKNZSAM-VOHKHNCPSA-N. The full InChI is InChI=1S/C58H100O6Si3/c1-41(2)65(42(3)4,43(5)6)60-35-33-50-39-53(64-67(58(17,18)19,54-26-22-20-23-27-54)55-28-24-21-25-29-55)40-52(61-50)36-48(59)37-56-47(13)30-31-49(62-56)38-51(32-34-57(14,15)16)63-66(44(7)8,45(9)10)46(11)12/h20-29,32,34,41-47,49-53,56H,30-31,33,35-40H2,1-19H3/b34-32+/t47-,49-,50-,51+,52+,53-,56+/m0/s1.
What are the key properties of 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one?
1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one has a molecular weight of 977.69 g/mol, XLogP of 15.15, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]-3-[(2R,3S,6S)-6-[(E,2S)-5,5-dimethyl-2-tri(propan-2-yl)silyloxyhex-3-enyl]-3-methyloxan-2-yl]propan-2-one is sourced from PubChem (CID 101201670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).