[(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane

C54H98O10Si4 — CID 161308948

About [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane

[(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane (PubChem CID 161308948) has the molecular formula C54H98O10Si4 and a molecular weight of 1019.71 g/mol. Its IUPAC name is [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane.

Molecular Properties

• Compound Name: [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane
• PubChem CID: 161308948
• Molecular Formula: C54H98O10Si4
• Molecular Weight: 1019.71 g/mol
• Exact Mass: 1018.62
• IUPAC Name: [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane
• SMILES: C.C.CC1=CC=CC2C1O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21.Cc1cccc2c1O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21.O=C=O.O=C=O
• InChI: InChI=1S/C25H46O3Si2.C25H44O3Si2.2CO2.2CH4/c2*1-17-13-12-14-18-22-19(16-26-29(8,9)24(2,3)4)20(15-21(22)27-23(17)18)28-30(10,11)25(5,6)7;2*2-1-3;;/h12-14,18-23H,15-16H2,1-11H3;12-14,19-22H,15-16H2,1-11H3;;;2*1H4/t18?,19-,20+,21-,22+,23?;19-,20+,21-,22+;;;;/m00..../s1
• InChIKey: VIPYPRWJAZAVAF-DKOBLUARSA-N
• XLogP: 14.31
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.71
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane?

The IUPAC name of [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane (CID 161308948) is [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane.

What is the SMILES notation for [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane?

The canonical SMILES for [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane is C.C.CC1=CC=CC2C1O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21.Cc1cccc2c1O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]21.O=C=O.O=C=O.

What is the InChIKey of [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane?

The InChIKey is VIPYPRWJAZAVAF-DKOBLUARSA-N. The full InChI is InChI=1S/C25H46O3Si2.C25H44O3Si2.2CO2.2CH4/c2*1-17-13-12-14-18-22-19(16-26-29(8,9)24(2,3)4)20(15-21(22)27-23(17)18)28-30(10,11)25(5,6)7;2*2-1-3;;/h12-14,18-23H,15-16H2,1-11H3;12-14,19-22H,15-16H2,1-11H3;;;2*1H4/t18?,19-,20+,21-,22+,23?;19-,20+,21-,22+;;;;/m00..../s1.

What are the key properties of [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane?

[(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane has a molecular weight of 1019.71 g/mol, XLogP of 14.31, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,3aS,8bR)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,4a,8a,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]methoxy-tert-butyl-dimethylsilane;bis(carbon dioxide);methane is sourced from PubChem (CID 161308948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).