[(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane

C20H38OSi — CID 138982785

About [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane

[(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 138982785) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 138982785
• Molecular Formula: C20H38OSi
• Molecular Weight: 322.61 g/mol
• Exact Mass: 322.27
• IUPAC Name: [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC1(C)CC[C@]2(C)C[C@H]3CCC(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H]12
• InChI: InChI=1S/C20H38OSi/c1-18(2,3)22(7,8)21-15-10-9-14-13-20(6)12-11-19(4,5)17(20)16(14)15/h14-17H,9-13H2,1-8H3/t14-,15?,16+,17-,20-/m1/s1
• InChIKey: HQGCTYINNACTGJ-OUJHOVAXSA-N
• XLogP: 6.25
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.61
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane (CID 138982785) is [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane is CC1(C)CC[C@]2(C)C[C@H]3CCC(O[Si](C)(C)C(C)(C)C)[C@H]3[C@H]12.

What is the InChIKey of [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is HQGCTYINNACTGJ-OUJHOVAXSA-N. The full InChI is InChI=1S/C20H38OSi/c1-18(2,3)22(7,8)21-15-10-9-14-13-20(6)12-11-19(4,5)17(20)16(14)15/h14-17H,9-13H2,1-8H3/t14-,15?,16+,17-,20-/m1/s1.

What are the key properties of [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?

[(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 138982785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).