(5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

C33H48O8Si2 — CID 11764584

About (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

(5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one (PubChem CID 11764584) has the molecular formula C33H48O8Si2 and a molecular weight of 628.91 g/mol. Its IUPAC name is (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.

Molecular Properties

• Compound Name: (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
• PubChem CID: 11764584
• Molecular Formula: C33H48O8Si2
• Molecular Weight: 628.91 g/mol
• Exact Mass: 628.29
• IUPAC Name: (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
• SMILES: COc1cc([C@@H]2c3cc4c(c(O[Si](C)(C)C(C)(C)C)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H48O8Si2/c1-32(2,3)42(9,10)40-28-22-13-20-17-37-31(34)27(20)26(21(22)16-25-30(28)39-18-38-25)19-14-23(35-7)29(24(15-19)36-8)41-43(11,12)33(4,5)6/h14-16,20,26-27H,13,17-18H2,1-12H3/t20-,26+,27-/m0/s1
• InChIKey: CADYMPAWLIITAP-BAURHKQJSA-N
• XLogP: 7.68
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.91
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one?

The IUPAC name of (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one (CID 11764584) is (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.

What is the SMILES notation for (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one?

The canonical SMILES for (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one is COc1cc([C@@H]2c3cc4c(c(O[Si](C)(C)C(C)(C)C)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one?

The InChIKey is CADYMPAWLIITAP-BAURHKQJSA-N. The full InChI is InChI=1S/C33H48O8Si2/c1-32(2,3)42(9,10)40-28-22-13-20-17-37-31(34)27(20)26(21(22)16-25-30(28)39-18-38-25)19-14-23(35-7)29(24(15-19)36-8)41-43(11,12)33(4,5)6/h14-16,20,26-27H,13,17-18H2,1-12H3/t20-,26+,27-/m0/s1.

What are the key properties of (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one?

(5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one has a molecular weight of 628.91 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5aR,8aR,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one is sourced from PubChem (CID 11764584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).