1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol

C25H48O3Si — CID 67998305

About 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol

1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol (PubChem CID 67998305) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol
• PubChem CID: 67998305
• Molecular Formula: C25H48O3Si
• Molecular Weight: 424.74 g/mol
• Exact Mass: 424.34
• IUPAC Name: 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol
• SMILES: CC(C)(O)C[C@@H]1CO[C@](C)(C2CCC3C(O[Si](C)(C)C(C)(C)C)CCCC32C)C1
• InChI: InChI=1S/C25H48O3Si/c1-22(2,3)29(8,9)28-20-11-10-14-24(6)19(20)12-13-21(24)25(7)16-18(17-27-25)15-23(4,5)26/h18-21,26H,10-17H2,1-9H3/t18-,19?,20?,21?,24?,25-/m0/s1
• InChIKey: SGBWVVXKESEPAC-KBTUPMSQSA-N
• XLogP: 6.55
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.74
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol (CID 67998305) is 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol is CC(C)(O)C[C@@H]1CO[C@](C)(C2CCC3C(O[Si](C)(C)C(C)(C)C)CCCC32C)C1.

What is the InChIKey of 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol?

The InChIKey is SGBWVVXKESEPAC-KBTUPMSQSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-22(2,3)29(8,9)28-20-11-10-14-24(6)19(20)12-13-21(24)25(7)16-18(17-27-25)15-23(4,5)26/h18-21,26H,10-17H2,1-9H3/t18-,19?,20?,21?,24?,25-/m0/s1.

What are the key properties of 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol?

1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol has a molecular weight of 424.74 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 67998305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).