3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane

C34H66O16Si2 — CID 58961497

IUPAC3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane
SMILESC=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](OC)C(OCCC[Si](OC)(OC)OC)[C@H](C)O[C@@H]2COCCC[Si](OC)(OC)OC)C(OCC=C)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C34H66O16Si2/c1-13-17-44-23-26-29(35-4)32(37-6)33(46-18-14-2)34(49-26)50-30-27(24-45-19-15-21-51(38-7,39-8)40-9)48-25(3)28(31(30)36-5)47-20-16-22-52(41-10,42-11)43-12/h13-14,25-34H,1-2,15-24H2,3-12H3/t25-,26+,27+,28?,29+,30+,31+,32-,33?,34-/m0/s1
InChIKeyHQYBHYRILOCHHJ-MXKLZEBGSA-N
MW787.06 g/mol
LogP2.64
Rot. Bonds29

About 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane

3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane (PubChem CID 58961497) has the molecular formula C34H66O16Si2 and a molecular weight of 787.06 g/mol. Its IUPAC name is 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane.

Molecular Properties

Compound Name3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane
PubChem CID58961497
Molecular FormulaC34H66O16Si2
Molecular Weight787.06 g/mol
Exact Mass786.39
IUPAC Name3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane
SMILESC=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](OC)C(OCCC[Si](OC)(OC)OC)[C@H](C)O[C@@H]2COCCC[Si](OC)(OC)OC)C(OCC=C)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C34H66O16Si2/c1-13-17-44-23-26-29(35-4)32(37-6)33(46-18-14-2)34(49-26)50-30-27(24-45-19-15-21-51(38-7,39-8)40-9)48-25(3)28(31(30)36-5)47-20-16-22-52(41-10,42-11)43-12/h13-14,25-34H,1-2,15-24H2,3-12H3/t25-,26+,27+,28?,29+,30+,31+,32-,33?,34-/m0/s1
InChIKeyHQYBHYRILOCHHJ-MXKLZEBGSA-N
XLogP2.64
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.06
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane?
The IUPAC name of 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane (CID 58961497) is 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane.
What is the SMILES notation for 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane?
The canonical SMILES for 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane is C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](OC)C(OCCC[Si](OC)(OC)OC)[C@H](C)O[C@@H]2COCCC[Si](OC)(OC)OC)C(OCC=C)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane?
The InChIKey is HQYBHYRILOCHHJ-MXKLZEBGSA-N. The full InChI is InChI=1S/C34H66O16Si2/c1-13-17-44-23-26-29(35-4)32(37-6)33(46-18-14-2)34(49-26)50-30-27(24-45-19-15-21-51(38-7,39-8)40-9)48-25(3)28(31(30)36-5)47-20-16-22-52(41-10,42-11)43-12/h13-14,25-34H,1-2,15-24H2,3-12H3/t25-,26+,27+,28?,29+,30+,31+,32-,33?,34-/m0/s1.
What are the key properties of 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane?
3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane has a molecular weight of 787.06 g/mol, XLogP of 2.64, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethoxy-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-4-methoxy-2-methyl-6-(3-trimethoxysilylpropoxymethyl)oxan-3-yl]oxypropyl-trimethoxysilane is sourced from PubChem (CID 58961497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).