[3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C44H80SSi — CID 58746988

About [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

[3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 58746988) has the molecular formula C44H80SSi and a molecular weight of 669.28 g/mol. Its IUPAC name is [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 58746988
• Molecular Formula: C44H80SSi
• Molecular Weight: 669.28 g/mol
• Exact Mass: 668.58
• IUPAC Name: [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• SMILES: CCC1CC2C(SC(C)C2C2CCC(C(C)(C)C)CC2)C1[Si](C)(C)C1C(C(C)C)CC2C(C3CCC(C(C)(C)C)CC3)CCCC21
• InChI: InChI=1S/C44H80SSi/c1-13-29-25-38-39(31-19-23-33(24-20-31)44(8,9)10)28(4)45-40(38)41(29)46(11,12)42-35-16-14-15-34(37(35)26-36(42)27(2)3)30-17-21-32(22-18-30)43(5,6)7/h27-42H,13-26H2,1-12H3
• InChIKey: UGUJCSWIIMTNFL-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.28
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 58746988) is [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

What is the SMILES notation for [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The canonical SMILES for [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CCC1CC2C(SC(C)C2C2CCC(C(C)(C)C)CC2)C1[Si](C)(C)C1C(C(C)C)CC2C(C3CCC(C(C)(C)C)CC3)CCCC21.

What is the InChIKey of [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The InChIKey is UGUJCSWIIMTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H80SSi/c1-13-29-25-38-39(31-19-23-33(24-20-31)44(8,9)10)28(4)45-40(38)41(29)46(11,12)42-35-16-14-15-34(37(35)26-36(42)27(2)3)30-17-21-32(22-18-30)43(5,6)7/h27-42H,13-26H2,1-12H3.

What are the key properties of [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

[3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 669.28 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 58746988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).