methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide

C64H141O41Si10- — CID 159998379

IUPACmethane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide
SMILESC.C.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.[OH-]
InChIInChI=1S/C34H78O26Si8.C28H54O14Si2.2CH4.H2O/c1-13-17-48-23-28-31(47-6)26(4)33(50-18-14-2)34(53-28)54-32-25(3)30(51-20-16-22-68(58-64(10,41)42,59-65(11,43)44)60-66(12,45)46)27(5)52-29(32)24-49-19-15-21-67(55-61(7,35)36,56-62(8,37)38)57-63(9,39)40;1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31;;;/h13-14,25-46H,1-2,15-24H2,3-12H3;7-8,19-34H,1-2,9-18H2,3-6H3;2*1H4;1H2/p-1/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+;19-,20+,21+,22-,23-,24-,25+,26+,27-,28+;;;/m11.../s1
InChIKeyCULOBRWTAAOLOT-AUAGFUTDSA-M
MW1847.65 g/mol
LogP-1.52
Rot. Bonds54

About methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide

methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide (PubChem CID 159998379) has the molecular formula C64H141O41Si10- and a molecular weight of 1847.65 g/mol. Its IUPAC name is methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide.

Molecular Properties

Compound Namemethane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide
PubChem CID159998379
Molecular FormulaC64H141O41Si10-
Molecular Weight1847.65 g/mol
Exact Mass1845.66
IUPAC Namemethane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide
SMILESC.C.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.[OH-]
InChIInChI=1S/C34H78O26Si8.C28H54O14Si2.2CH4.H2O/c1-13-17-48-23-28-31(47-6)26(4)33(50-18-14-2)34(53-28)54-32-25(3)30(51-20-16-22-68(58-64(10,41)42,59-65(11,43)44)60-66(12,45)46)27(5)52-29(32)24-49-19-15-21-67(55-61(7,35)36,56-62(8,37)38)57-63(9,39)40;1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31;;;/h13-14,25-46H,1-2,15-24H2,3-12H3;7-8,19-34H,1-2,9-18H2,3-6H3;2*1H4;1H2/p-1/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+;19-,20+,21+,22-,23-,24-,25+,26+,27-,28+;;;/m11.../s1
InChIKeyCULOBRWTAAOLOT-AUAGFUTDSA-M
XLogP-1.52
TPSA597.20 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds54
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.65
LogP ≤ 5-1.52
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

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 methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide?
The IUPAC name of methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide (CID 159998379) is methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide.
What is the SMILES notation for methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide?
The canonical SMILES for methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide is C.C.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.C=CCOC[C@H]1O[C@@H](O[C@H]2[C@H](C)[C@@H](OCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](C)O[C@@H]2COCCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)[C@H](OCC=C)[C@@H](C)[C@@H]1OC.[OH-].
What is the InChIKey of methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide?
The InChIKey is CULOBRWTAAOLOT-AUAGFUTDSA-M. The full InChI is InChI=1S/C34H78O26Si8.C28H54O14Si2.2CH4.H2O/c1-13-17-48-23-28-31(47-6)26(4)33(50-18-14-2)34(53-28)54-32-25(3)30(51-20-16-22-68(58-64(10,41)42,59-65(11,43)44)60-66(12,45)46)27(5)52-29(32)24-49-19-15-21-67(55-61(7,35)36,56-62(8,37)38)57-63(9,39)40;1-7-11-36-17-22-25(35-6)20(4)27(38-12-8-2)28(41-22)42-26-19(3)24(39-14-10-16-44(32,33)34)21(5)40-23(26)18-37-13-9-15-43(29,30)31;;;/h13-14,25-46H,1-2,15-24H2,3-12H3;7-8,19-34H,1-2,9-18H2,3-6H3;2*1H4;1H2/p-1/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+;19-,20+,21+,22-,23-,24-,25+,26+,27-,28+;;;/m11.../s1.
What are the key properties of methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide?
methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide has a molecular weight of 1847.65 g/mol, XLogP of -1.52, 54 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trihydroxy-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-(3-trihydroxysilylpropoxymethyl)oxan-3-yl]oxypropyl]silane;tris[[dihydroxy(methyl)silyl]oxy]-[3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-methoxy-4-methyl-3-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxy-2,4-dimethyl-6-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropoxymethyl]oxan-3-yl]oxypropyl]silane;hydroxide is sourced from PubChem (CID 159998379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).