6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane

C86H178O9Si4 — CID 159558614

About 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane

6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane (PubChem CID 159558614) has the molecular formula C86H178O9Si4 and a molecular weight of 1468.70 g/mol. Its IUPAC name is 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane.

Molecular Properties

• Compound Name: 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane
• PubChem CID: 159558614
• Molecular Formula: C86H178O9Si4
• Molecular Weight: 1468.70 g/mol
• Exact Mass: 1467.25
• IUPAC Name: 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane
• SMILES: C.C.CC(C)(O)CCCC(C)(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.CC(C)(O)CCC[C@@](C)(CCO)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.CC(C)(O)CCC[C@](C)(CCO)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C
• InChI: InChI=1S/C32H66O3Si2.2C26H52O3Si.2CH4/c1-28(2,3)36(11,12)34-24-23-31(9,21-16-20-30(7,8)33)27-19-18-25-26(17-15-22-32(25,27)10)35-37(13,14)29(4,5)6;2*1-23(2,3)30(8,9)29-21-12-10-17-26(7)20(21)13-14-22(26)25(6,18-19-27)16-11-15-24(4,5)28;;/h25-27,33H,15-24H2,1-14H3;2*20-22,27-28H,10-19H2,1-9H3;2*1H4/t25?,26-,27+,31?,32-;20?,21-,22+,25+,26-;20?,21-,22+,25-,26-;;/m000../s1
• InChIKey: MGHUTCFHPGMDJJ-SQRIGIKNSA-N
• XLogP: 25.07
• TPSA: 138.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1468.70
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane?

The IUPAC name of 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane (CID 159558614) is 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane.

What is the SMILES notation for 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane?

The canonical SMILES for 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane is C.C.CC(C)(O)CCCC(C)(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.CC(C)(O)CCC[C@@](C)(CCO)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.CC(C)(O)CCC[C@](C)(CCO)[C@H]1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C.

What is the InChIKey of 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane?

The InChIKey is MGHUTCFHPGMDJJ-SQRIGIKNSA-N. The full InChI is InChI=1S/C32H66O3Si2.2C26H52O3Si.2CH4/c1-28(2,3)36(11,12)34-24-23-31(9,21-16-20-30(7,8)33)27-19-18-25-26(17-15-22-32(25,27)10)35-37(13,14)29(4,5)6;2*1-23(2,3)30(8,9)29-21-12-10-17-26(7)20(21)13-14-22(26)25(6,18-19-27)16-11-15-24(4,5)28;;/h25-27,33H,15-24H2,1-14H3;2*20-22,27-28H,10-19H2,1-9H3;2*1H4/t25?,26-,27+,31?,32-;20?,21-,22+,25+,26-;20?,21-,22+,25-,26-;;/m000../s1.

What are the key properties of 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane?

6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane has a molecular weight of 1468.70 g/mol, XLogP of 25.07, 29 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol;(3R)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;(3S)-3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-3,7-dimethyloctane-1,7-diol;methane is sourced from PubChem (CID 159558614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).