(3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane

C32H48OS — CID 166677492

About (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane

(3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane (PubChem CID 166677492) has the molecular formula C32H48OS and a molecular weight of 480.80 g/mol. Its IUPAC name is (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane.

Molecular Properties

• Compound Name: (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane
• PubChem CID: 166677492
• Molecular Formula: C32H48OS
• Molecular Weight: 480.80 g/mol
• Exact Mass: 480.34
• IUPAC Name: (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane
• SMILES: CCCCC1CC(S(C)(C)C2CC(CCCCOC(C)(C)C)c3ccccc32)c2ccccc21
• InChI: InChI=1S/C32H48OS/c1-7-8-15-24-22-30(28-19-11-9-17-26(24)28)34(5,6)31-23-25(27-18-10-12-20-29(27)31)16-13-14-21-33-32(2,3)4/h9-12,17-20,24-25,30-31H,7-8,13-16,21-23H2,1-6H3
• InChIKey: YHADNIXLTOKZHW-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.80
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane?

The IUPAC name of (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane (CID 166677492) is (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane.

What is the SMILES notation for (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane?

The canonical SMILES for (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane is CCCCC1CC(S(C)(C)C2CC(CCCCOC(C)(C)C)c3ccccc32)c2ccccc21.

What is the InChIKey of (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane?

The InChIKey is YHADNIXLTOKZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48OS/c1-7-8-15-24-22-30(28-19-11-9-17-26(24)28)34(5,6)31-23-25(27-18-10-12-20-29(27)31)16-13-14-21-33-32(2,3)4/h9-12,17-20,24-25,30-31H,7-8,13-16,21-23H2,1-6H3.

What are the key properties of (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane?

(3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane has a molecular weight of 480.80 g/mol, XLogP of 9.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butyl-2,3-dihydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3-dihydro-1H-inden-1-yl]-λ4-sulfane is sourced from PubChem (CID 166677492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).