1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione

C23H42N2O5Si2 — CID 58445191

About 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione

1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 58445191) has the molecular formula C23H42N2O5Si2 and a molecular weight of 482.77 g/mol. Its IUPAC name is 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 58445191
• Molecular Formula: C23H42N2O5Si2
• Molecular Weight: 482.77 g/mol
• Exact Mass: 482.26
• IUPAC Name: 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn(C2CC3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3C2)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H42N2O5Si2/c1-14(2)31(15(3)4)28-13-19-10-20(25-12-18(9)22(26)24-23(25)27)11-21(19)29-32(30-31,16(5)6)17(7)8/h12,14-17,19-21H,10-11,13H2,1-9H3,(H,24,26,27)/t19-,20?,21?/m1/s1
• InChIKey: ZCDNYSSXOOLXOV-QNGMFEMESA-N
• XLogP: 4.75
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.77
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione (CID 58445191) is 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CC3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3C2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is ZCDNYSSXOOLXOV-QNGMFEMESA-N. The full InChI is InChI=1S/C23H42N2O5Si2/c1-14(2)31(15(3)4)28-13-19-10-20(25-12-18(9)22(26)24-23(25)27)11-21(19)29-32(30-31,16(5)6)17(7)8/h12,14-17,19-21H,10-11,13H2,1-9H3,(H,24,26,27)/t19-,20?,21?/m1/s1.

What are the key properties of 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione?

1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 482.77 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 58445191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).