[5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane

C30H53NSi — CID 59164899

About [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane

[5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane (PubChem CID 59164899) has the molecular formula C30H53NSi and a molecular weight of 455.85 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane.

Molecular Properties

• Compound Name: [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane
• PubChem CID: 59164899
• Molecular Formula: C30H53NSi
• Molecular Weight: 455.85 g/mol
• Exact Mass: 455.39
• IUPAC Name: [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane
• SMILES: CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1CCCC1)N2CC1CCCCC1
• InChI: InChI=1S/C30H53NSi/c1-21-17-18-27-26(19-21)28-29(31(27)20-22-11-5-4-6-12-22)24-15-9-10-16-25(24)30(28)32(2,3)23-13-7-8-14-23/h21-30H,4-20H2,1-3H3
• InChIKey: UYCXFAQUUWGMSU-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.85
LogP ≤ 5	8.51
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 [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane?

The IUPAC name of [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane (CID 59164899) is [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane.

What is the SMILES notation for [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane?

The canonical SMILES for [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane is CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1CCCC1)N2CC1CCCCC1.

What is the InChIKey of [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane?

The InChIKey is UYCXFAQUUWGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NSi/c1-21-17-18-27-26(19-21)28-29(31(27)20-22-11-5-4-6-12-22)24-15-9-10-16-25(24)30(28)32(2,3)23-13-7-8-14-23/h21-30H,4-20H2,1-3H3.

What are the key properties of [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane?

[5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane has a molecular weight of 455.85 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane is sourced from PubChem (CID 59164899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).