(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one

C19H36O2Si2 — CID 11759960

About (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one

(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one (PubChem CID 11759960) has the molecular formula C19H36O2Si2 and a molecular weight of 352.67 g/mol. Its IUPAC name is (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one.

Molecular Properties

• Compound Name: (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one
• PubChem CID: 11759960
• Molecular Formula: C19H36O2Si2
• Molecular Weight: 352.67 g/mol
• Exact Mass: 352.23
• IUPAC Name: (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one
• SMILES: CC1(C)C[C@H]2CC(=O)C([Si](C)(C)C)=C2[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H36O2Si2/c1-18(2,3)23(9,10)21-17-15-13(12-19(17,4)5)11-14(20)16(15)22(6,7)8/h13,17H,11-12H2,1-10H3/t13-,17+/m1/s1
• InChIKey: YGLHVJPQSMYZMP-DYVFJYSZSA-N
• XLogP: 5.57
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.67
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one?

The IUPAC name of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one (CID 11759960) is (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one.

What is the SMILES notation for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one?

The canonical SMILES for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one is CC1(C)C[C@H]2CC(=O)C([Si](C)(C)C)=C2[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one?

The InChIKey is YGLHVJPQSMYZMP-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H36O2Si2/c1-18(2,3)23(9,10)21-17-15-13(12-19(17,4)5)11-14(20)16(15)22(6,7)8/h13,17H,11-12H2,1-10H3/t13-,17+/m1/s1.

What are the key properties of (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one?

(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one has a molecular weight of 352.67 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylsilyl-1,4,6,6a-tetrahydropentalen-2-one is sourced from PubChem (CID 11759960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).