[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

C40H78O7Si4 — CID 10747827

About [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10747827) has the molecular formula C40H78O7Si4 and a molecular weight of 783.40 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10747827
• Molecular Formula: C40H78O7Si4
• Molecular Weight: 783.40 g/mol
• Exact Mass: 782.48
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: COc1ccc(/C=C/CO[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C40H78O7Si4/c1-37(2,3)48(14,15)43-29-32-33(45-49(16,17)38(4,5)6)34(46-50(18,19)39(7,8)9)35(47-51(20,21)40(10,11)12)36(44-32)42-28-22-23-30-24-26-31(41-13)27-25-30/h22-27,32-36H,28-29H2,1-21H3/b23-22+/t32-,33-,34+,35-,36-/m1/s1
• InChIKey: SAXGQNFCUOSDEE-KJJITXSTSA-N
• XLogP: 11.64
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.40
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 10747827) is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is COc1ccc(/C=C/CO[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is SAXGQNFCUOSDEE-KJJITXSTSA-N. The full InChI is InChI=1S/C40H78O7Si4/c1-37(2,3)48(14,15)43-29-32-33(45-49(16,17)38(4,5)6)34(46-50(18,19)39(7,8)9)35(47-51(20,21)40(10,11)12)36(44-32)42-28-22-23-30-24-26-31(41-13)27-25-30/h22-27,32-36H,28-29H2,1-21H3/b23-22+/t32-,33-,34+,35-,36-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 783.40 g/mol, XLogP of 11.64, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10747827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).