dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)

C38H79NO4Sn — CID 159466331

IUPACdibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCN(CC)CC
InChIInChI=1S/2C12H24O2.C6H15N.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);4-6H2,1-3H3;2*1,3-4H2,2H3;/q;;;;;+2/p-2
InChIKeyLVFPAKAJHWLSJU-UHFFFAOYSA-L
MW732.76 g/mol
LogP9.79
Rot. Bonds29

About dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)

dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate) (PubChem CID 159466331) has the molecular formula C38H79NO4Sn and a molecular weight of 732.76 g/mol. Its IUPAC name is dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate).

Molecular Properties

Compound Namedibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
PubChem CID159466331
Molecular FormulaC38H79NO4Sn
Molecular Weight732.76 g/mol
Exact Mass733.50
IUPAC Namedibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCN(CC)CC
InChIInChI=1S/2C12H24O2.C6H15N.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);4-6H2,1-3H3;2*1,3-4H2,2H3;/q;;;;;+2/p-2
InChIKeyLVFPAKAJHWLSJU-UHFFFAOYSA-L
XLogP9.79
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.76
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
CID 159975771
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
dibutyltin(2+);dioctyltin(2+);bis(dodecanoate);diacetate
CID 162006302
bis(dioctyltin(2+));tetrakis(dodecanoate)
CID 160899989
dioctyltin(2+);bis(dodecanoate);hydroxysilane
CID 161145382
dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
CID 159281027
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)?
The IUPAC name of dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate) (CID 159466331) is dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate).
What is the SMILES notation for dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)?
The canonical SMILES for dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate) is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCN(CC)CC.
What is the InChIKey of dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)?
The InChIKey is LVFPAKAJHWLSJU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.C6H15N.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);4-6H2,1-3H3;2*1,3-4H2,2H3;/q;;;;;+2/p-2.
What are the key properties of dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)?
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate) has a molecular weight of 732.76 g/mol, XLogP of 9.79, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate) is sourced from PubChem (CID 159466331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).