(4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

C23H46GeO3Si2 — CID 11191226

About (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

(4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (PubChem CID 11191226) has the molecular formula C23H46GeO3Si2 and a molecular weight of 499.40 g/mol. Its IUPAC name is (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

Molecular Properties

• Compound Name: (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
• PubChem CID: 11191226
• Molecular Formula: C23H46GeO3Si2
• Molecular Weight: 499.40 g/mol
• Exact Mass: 500.22
• IUPAC Name: (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C2=C([Ge](C)(C)C)C(=O)C[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H46GeO3Si2/c1-22(2,3)28(10,11)26-18-15-16-14-17(25)20(24(7,8)9)19(16)21(18)27-29(12,13)23(4,5)6/h16,18,21H,14-15H2,1-13H3/t16-,18+,21-/m0/s1
• InChIKey: ZQTWSICWJRBRAR-CDXJDZJCSA-N
• XLogP: 6.93
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.40
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
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 (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?

The IUPAC name of (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (CID 11191226) is (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

What is the SMILES notation for (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?

The canonical SMILES for (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C2=C([Ge](C)(C)C)C(=O)C[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?

The InChIKey is ZQTWSICWJRBRAR-CDXJDZJCSA-N. The full InChI is InChI=1S/C23H46GeO3Si2/c1-22(2,3)28(10,11)26-18-15-16-14-17(25)20(24(7,8)9)19(16)21(18)27-29(12,13)23(4,5)6/h16,18,21H,14-15H2,1-13H3/t16-,18+,21-/m0/s1.

What are the key properties of (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?

(4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one has a molecular weight of 499.40 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is sourced from PubChem (CID 11191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).