tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane

C22H36INOSi — CID 151236452

About tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane

tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane (PubChem CID 151236452) has the molecular formula C22H36INOSi and a molecular weight of 485.53 g/mol. Its IUPAC name is tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane
• PubChem CID: 151236452
• Molecular Formula: C22H36INOSi
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.16
• IUPAC Name: tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane
• SMILES: CC(C)c1cc(I)c2c(n1)CC1(CCCC1)C[C@@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H36INOSi/c1-15(2)17-12-16(23)20-18(24-17)13-22(10-8-9-11-22)14-19(20)25-26(6,7)21(3,4)5/h12,15,19H,8-11,13-14H2,1-7H3/t19-/m0/s1
• InChIKey: NPJMIRNFJFVCNJ-IBGZPJMESA-N
• XLogP: 7.38
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane (CID 151236452) is tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane is CC(C)c1cc(I)c2c(n1)CC1(CCCC1)C[C@@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane?

The InChIKey is NPJMIRNFJFVCNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H36INOSi/c1-15(2)17-12-16(23)20-18(24-17)13-22(10-8-9-11-22)14-19(20)25-26(6,7)21(3,4)5/h12,15,19H,8-11,13-14H2,1-7H3/t19-/m0/s1.

What are the key properties of tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane?

tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane has a molecular weight of 485.53 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5S)-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 151236452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).