bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))

C40H76Fe2I2N2O2Pd2Si2+4 — CID 23233137

About bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))

bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)) (PubChem CID 23233137) has the molecular formula C40H76Fe2I2N2O2Pd2Si2+4 and a molecular weight of 1251.57 g/mol. Its IUPAC name is bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)).

Molecular Properties

• Compound Name: bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))
• PubChem CID: 23233137
• Molecular Formula: C40H76Fe2I2N2O2Pd2Si2+4
• Molecular Weight: 1251.57 g/mol
• Exact Mass: 1250.03
• IUPAC Name: bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))
• SMILES: C1CCCC1.C1CCCC1.CC(C)(C)[C@H]1COC(C2[CH-]CCC2[Si](C)(C)C)=N1.CC(C)(C)[C@H]1COC(C2[CH-]CCC2[Si](C)(C)C)=N1.[Fe+2].[Fe+2].[Pd+]I.[Pd+]I
• InChI: InChI=1S/2C15H28NOSi.2C5H10.2Fe.2HI.2Pd/c2*1-15(2,3)13-10-17-14(16-13)11-8-7-9-12(11)18(4,5)6;2*1-2-4-5-3-1;;;;;;/h2*8,11-13H,7,9-10H2,1-6H3;2*1-5H2;;;2*1H;;/q2*-1;;;2*+2;;;2*+2/p-2/t2*11?,12?,13-;;;;;;;;/m11......../s1
• InChIKey: JUPYVMZRPFNUAM-VTSHHFQASA-L
• XLogP: 13.97
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.57
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))?

The IUPAC name of bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)) (CID 23233137) is bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)).

What is the SMILES notation for bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))?

The canonical SMILES for bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)) is C1CCCC1.C1CCCC1.CC(C)(C)[C@H]1COC(C2[CH-]CCC2[Si](C)(C)C)=N1.CC(C)(C)[C@H]1COC(C2[CH-]CCC2[Si](C)(C)C)=N1.[Fe+2].[Fe+2].[Pd+]I.[Pd+]I.

What is the InChIKey of bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))?

The InChIKey is JUPYVMZRPFNUAM-VTSHHFQASA-L. The full InChI is InChI=1S/2C15H28NOSi.2C5H10.2Fe.2HI.2Pd/c2*1-15(2,3)13-10-17-14(16-13)11-8-7-9-12(11)18(4,5)6;2*1-2-4-5-3-1;;;;;;/h2*8,11-13H,7,9-10H2,1-6H3;2*1-5H2;;;2*1H;;/q2*-1;;;2*+2;;;2*+2/p-2/t2*11?,12?,13-;;;;;;;;/m11......../s1.

What are the key properties of bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))?

bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)) has a molecular weight of 1251.57 g/mol, XLogP of 13.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+)) is sourced from PubChem (CID 23233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).