Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)

C₅₆H₁₁₂O₈Sn₂ — CID 160581451

About Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)

Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) (PubChem CID 160581451) has the molecular formula C₅₆H₁₁₂O₈Sn₂ and a molecular weight of 1150.93 g/mol. Its IUPAC name is bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate).

Molecular Properties

• Compound Name: Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
• PubChem CID: 160581451
• Molecular Formula: C₅₆H₁₁₂O₈Sn₂
• Molecular Weight: 1150.93 g/mol
• Exact Mass: 1152.64
• IUPAC Name: bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
• SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC
• InChI: InChI=1S/2C12H24O2.2C8H16O2.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-3-4-5-6-7-8(9)10;4*1-3-4-2;;/h2*2-11H2,1H3,(H,13,14);2*2-7H2,1H3,(H,9,10);4*1,3-4H2,2H3;;/q;;;;;;;;2*+2/p-4
• InChIKey: RBVLAYRPYPEBSM-UHFFFAOYSA-J
• XLogP: 13.76
• TPSA: 160.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 44
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.93
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?

The IUPAC name of Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) (CID 160581451) is bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate).

What is the SMILES notation for Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?

The canonical SMILES for Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.

What is the InChIKey of Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?

The InChIKey is RBVLAYRPYPEBSM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H24O2.2C8H16O2.4C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-2-3-4-5-6-7-8(9)10;4*1-3-4-2;;/h2*2-11H2,1H3,(H,13,14);2*2-7H2,1H3,(H,9,10);4*1,3-4H2,2H3;;/q;;;;;;;;2*+2/p-4.

What are the key properties of Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)?

Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) has a molecular weight of 1150.93 g/mol, XLogP of 13.76, 44 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate) is sourced from PubChem (CID 160581451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160581451 — identifiers, structure, computed properties (public domain)

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