(6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one

C24H44O4Si2 — CID 10972464

About (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one

(6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one (PubChem CID 10972464) has the molecular formula C24H44O4Si2 and a molecular weight of 452.78 g/mol. Its IUPAC name is (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one.

Molecular Properties

• Compound Name: (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one
• PubChem CID: 10972464
• Molecular Formula: C24H44O4Si2
• Molecular Weight: 452.78 g/mol
• Exact Mass: 452.28
• IUPAC Name: (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one
• SMILES: CC1=C2CC[C@@](C)(O[Si](C)(C)C)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]3[C@H]2OC1=O
• InChI: InChI=1S/C24H44O4Si2/c1-15-17-12-13-24(6,28-29(7,8)9)18-14-19(27-30(10,11)23(3,4)5)16(2)20(18)21(17)26-22(15)25/h16,18-21H,12-14H2,1-11H3/t16-,18-,19+,20+,21+,24-/m1/s1
• InChIKey: MRKVRLADUANCTI-IAKILTLYSA-N
• XLogP: 6.29
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.78
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one?

The IUPAC name of (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one (CID 10972464) is (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one.

What is the SMILES notation for (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one?

The canonical SMILES for (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one is CC1=C2CC[C@@](C)(O[Si](C)(C)C)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]3[C@H]2OC1=O.

What is the InChIKey of (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one?

The InChIKey is MRKVRLADUANCTI-IAKILTLYSA-N. The full InChI is InChI=1S/C24H44O4Si2/c1-15-17-12-13-24(6,28-29(7,8)9)18-14-19(27-30(10,11)23(3,4)5)16(2)20(18)21(17)26-22(15)25/h16,18-21H,12-14H2,1-11H3/t16-,18-,19+,20+,21+,24-/m1/s1.

What are the key properties of (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one?

(6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one has a molecular weight of 452.78 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,6aR,8S,9S,9aS,9bR)-8-[tert-butyl(dimethyl)silyl]oxy-3,6,9-trimethyl-6-trimethylsilyloxy-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one is sourced from PubChem (CID 10972464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).