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

C34H78O26Si8 — CID 58961507

IUPACtris[[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
SMILESC=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
InChIInChI=1S/C34H78O26Si8/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/h13-14,25-46H,1-2,15-24H2,3-12H3/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+/m1/s1
InChIKeyRGVRRPDXDOUEPB-GYKGZQJHSA-N
MW1127.66 g/mol
LogP-2.58
Rot. Bonds33

About 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

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 (PubChem CID 58961507) has the molecular formula C34H78O26Si8 and a molecular weight of 1127.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris[[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
PubChem CID58961507
Molecular FormulaC34H78O26Si8
Molecular Weight1127.66 g/mol
Exact Mass1126.29
IUPAC Nametris[[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
SMILESC=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
InChIInChI=1S/C34H78O26Si8/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/h13-14,25-46H,1-2,15-24H2,3-12H3/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+/m1/s1
InChIKeyRGVRRPDXDOUEPB-GYKGZQJHSA-N
XLogP-2.58
TPSA371.98 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.66
LogP ≤ 5-2.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 58961507) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is RGVRRPDXDOUEPB-GYKGZQJHSA-N. The full InChI is InChI=1S/C34H78O26Si8/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/h13-14,25-46H,1-2,15-24H2,3-12H3/t25-,26+,27+,28-,29-,30-,31+,32+,33-,34+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 1127.66 g/mol, XLogP of -2.58, 33 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58961507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).