cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C33H61NOSi — CID 156623942

About cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 156623942) has the molecular formula C33H61NOSi and a molecular weight of 515.94 g/mol. Its IUPAC name is cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 156623942
• Molecular Formula: C33H61NOSi
• Molecular Weight: 515.94 g/mol
• Exact Mass: 515.45
• IUPAC Name: cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCCC1)N2C
• InChI: InChI=1S/C33H61NOSi/c1-24-19-20-29-28(23-24)30-31(34(29)5)26-17-11-12-18-27(26)32(30)36(6,25-15-9-10-16-25)22-14-8-7-13-21-35-33(2,3)4/h24-32H,7-23H2,1-6H3
• InChIKey: YQDZWCFVXAIGQE-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.94
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 156623942) is cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

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

The canonical SMILES for cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(CCCCCCOC(C)(C)C)C1CCCC1)N2C.

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

The InChIKey is YQDZWCFVXAIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H61NOSi/c1-24-19-20-29-28(23-24)30-31(34(29)5)26-17-11-12-18-27(26)32(30)36(6,25-15-9-10-16-25)22-14-8-7-13-21-35-33(2,3)4/h24-32H,7-23H2,1-6H3.

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

cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 515.94 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 156623942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).