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

C19H36GeO2Si — CID 135006845

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

4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one (PubChem CID 135006845) has the molecular formula C19H36GeO2Si and a molecular weight of 397.19 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
• PubChem CID: 135006845
• Molecular Formula: C19H36GeO2Si
• Molecular Weight: 397.19 g/mol
• Exact Mass: 398.17
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
• SMILES: CC1(C)CC2CC(=O)C([Ge](C)(C)C)=C2C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H36GeO2Si/c1-18(2,3)23(9,10)22-17-15-13(12-19(17,4)5)11-14(21)16(15)20(6,7)8/h13,17H,11-12H2,1-10H3
• InChIKey: JVCOSDSQVDRWRE-UHFFFAOYSA-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	397.19
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 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one (CID 135006845) is 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one.

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

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one is CC1(C)CC2CC(=O)C([Ge](C)(C)C)=C2C1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is JVCOSDSQVDRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36GeO2Si/c1-18(2,3)23(9,10)22-17-15-13(12-19(17,4)5)11-14(21)16(15)20(6,7)8/h13,17H,11-12H2,1-10H3.

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

4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one has a molecular weight of 397.19 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 4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one is sourced from PubChem (CID 135006845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).