4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C24H36Br2S2Si — CID 58289200

About 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 58289200) has the molecular formula C24H36Br2S2Si and a molecular weight of 576.58 g/mol. Its IUPAC name is 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

• Compound Name: 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• PubChem CID: 58289200
• Molecular Formula: C24H36Br2S2Si
• Molecular Weight: 576.58 g/mol
• Exact Mass: 574.04
• IUPAC Name: 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• SMILES: CCCCC(CC)C[Si]1(CC(CC)CCCC)c2cc(Br)sc2-c2sc(Br)cc21
• InChI: InChI=1S/C24H36Br2S2Si/c1-5-9-11-17(7-3)15-29(16-18(8-4)12-10-6-2)19-13-21(25)27-23(19)24-20(29)14-22(26)28-24/h13-14,17-18H,5-12,15-16H2,1-4H3
• InChIKey: CMMVJTQAECTXDZ-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.58
LogP ≤ 5	9.31
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 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The IUPAC name of 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 58289200) is 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

What is the SMILES notation for 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The canonical SMILES for 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CCCCC(CC)C[Si]1(CC(CC)CCCC)c2cc(Br)sc2-c2sc(Br)cc21.

What is the InChIKey of 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The InChIKey is CMMVJTQAECTXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36Br2S2Si/c1-5-9-11-17(7-3)15-29(16-18(8-4)12-10-6-2)19-13-21(25)27-23(19)24-20(29)14-22(26)28-24/h13-14,17-18H,5-12,15-16H2,1-4H3.

What are the key properties of 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 576.58 g/mol, XLogP of 9.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 58289200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).