7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C159H228S10Si5 — CID 160677737

About 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 160677737) has the molecular formula C159H228S10Si5 and a molecular weight of 2600.67 g/mol. Its IUPAC name is 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

• Compound Name: 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• PubChem CID: 160677737
• Molecular Formula: C159H228S10Si5
• Molecular Weight: 2600.67 g/mol
• Exact Mass: 2597.39
• IUPAC Name: 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• SMILES: CCCCC(CC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCC(CCCC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCCCC(CCCCCC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCCCC(CCCCCC)C[Si]1(c2ccc(CCCCCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCc1ccc([Si]2(CC(CC)CCCC)c3cc(C)sc3-c3sc(C)cc32)cc1
• InChI: InChI=1S/C38H58S2Si.C35H52S2Si.C31H44S2Si.C28H38S2Si.C27H36S2Si/c1-6-9-12-15-16-19-22-33(21-18-14-11-8-3)29-41(34-25-23-32(24-26-34)20-17-13-10-7-2)35-27-30(4)39-37(35)38-36(41)28-31(5)40-38;1-6-9-11-13-14-16-19-30(18-15-12-10-7-2)26-38(31-22-20-29(17-8-3)21-23-31)32-24-27(4)36-34(32)35-33(38)25-28(5)37-35;1-6-9-11-12-15-26(14-10-7-2)22-34(27-18-16-25(13-8-3)17-19-27)28-20-23(4)32-30(28)31-29(34)21-24(5)33-31;1-6-9-11-22(8-3)19-31(24-15-13-23(14-16-24)12-10-7-2)25-17-20(4)29-27(25)28-26(31)18-21(5)30-28;1-6-9-11-21(8-3)18-30(23-14-12-22(10-7-2)13-15-23)24-16-19(4)28-26(24)27-25(30)17-20(5)29-27/h23-28,33H,6-22,29H2,1-5H3;20-25,30H,6-19,26H2,1-5H3;16-21,26H,6-15,22H2,1-5H3;13-18,22H,6-12,19H2,1-5H3;12-17,21H,6-11,18H2,1-5H3
• InChIKey: RNSXOSVVJBWHMI-UHFFFAOYSA-N
• XLogP: 44.59
• TPSA: 0.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 69
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2600.67
LogP ≤ 5	44.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The IUPAC name of 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 160677737) is 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

What is the SMILES notation for 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The canonical SMILES for 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CCCCC(CC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCC(CCCC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCCCC(CCCCCC)C[Si]1(c2ccc(CCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCCCCCC(CCCCCC)C[Si]1(c2ccc(CCCCCC)cc2)c2cc(C)sc2-c2sc(C)cc21.CCCCc1ccc([Si]2(CC(CC)CCCC)c3cc(C)sc3-c3sc(C)cc32)cc1.

What is the InChIKey of 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The InChIKey is RNSXOSVVJBWHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58S2Si.C35H52S2Si.C31H44S2Si.C28H38S2Si.C27H36S2Si/c1-6-9-12-15-16-19-22-33(21-18-14-11-8-3)29-41(34-25-23-32(24-26-34)20-17-13-10-7-2)35-27-30(4)39-37(35)38-36(41)28-31(5)40-38;1-6-9-11-13-14-16-19-30(18-15-12-10-7-2)26-38(31-22-20-29(17-8-3)21-23-31)32-24-27(4)36-34(32)35-33(38)25-28(5)37-35;1-6-9-11-12-15-26(14-10-7-2)22-34(27-18-16-25(13-8-3)17-19-27)28-20-23(4)32-30(28)31-29(34)21-24(5)33-31;1-6-9-11-22(8-3)19-31(24-15-13-23(14-16-24)12-10-7-2)25-17-20(4)29-27(25)28-26(31)18-21(5)30-28;1-6-9-11-21(8-3)18-30(23-14-12-22(10-7-2)13-15-23)24-16-19(4)28-26(24)27-25(30)17-20(5)29-27/h23-28,33H,6-22,29H2,1-5H3;20-25,30H,6-19,26H2,1-5H3;16-21,26H,6-15,22H2,1-5H3;13-18,22H,6-12,19H2,1-5H3;12-17,21H,6-11,18H2,1-5H3.

What are the key properties of 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 2600.67 g/mol, XLogP of 44.59, 69 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-butyloctyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(4-butylphenyl)-7-(2-ethylhexyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-ethylhexyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-4,10-dimethyl-7-(4-propylphenyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;7-(2-hexyldecyl)-7-(4-hexylphenyl)-4,10-dimethyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 160677737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).