dibutyltin(2+);2,2-dimethylhexanedioate

C16H30O4Sn — CID 22463139

IUPACdibutyltin(2+);2,2-dimethylhexanedioate
SMILESCC(C)(CCCC(=O)[O-])C(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/C8H14O4.2C4H9.Sn/c1-8(2,7(11)12)5-3-4-6(9)10;2*1-3-4-2;/h3-5H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKeyHQHUAKSRMTZCOR-UHFFFAOYSA-L
MW405.12 g/mol
LogP1.81
Rot. Bonds11

About dibutyltin(2+);2,2-dimethylhexanedioate

dibutyltin(2+);2,2-dimethylhexanedioate (PubChem CID 22463139) has the molecular formula C16H30O4Sn and a molecular weight of 405.12 g/mol. Its IUPAC name is dibutyltin(2+);2,2-dimethylhexanedioate.

Molecular Properties

Compound Namedibutyltin(2+);2,2-dimethylhexanedioate
PubChem CID22463139
Molecular FormulaC16H30O4Sn
Molecular Weight405.12 g/mol
Exact Mass406.12
IUPAC Namedibutyltin(2+);2,2-dimethylhexanedioate
SMILESCC(C)(CCCC(=O)[O-])C(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/C8H14O4.2C4H9.Sn/c1-8(2,7(11)12)5-3-4-6(9)10;2*1-3-4-2;/h3-5H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKeyHQHUAKSRMTZCOR-UHFFFAOYSA-L
XLogP1.81
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
copper(1+);2,2-dimethylheptanoate
CID 159491834
dibutyltin(2+);bis(2-methyl-2-sulfanylhexanoate)
CID 88846994
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
dioctyltin(2+);bis(dodecanoate);hydroxysilane
CID 161145382
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
CID 159466331
dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
CID 159281027

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);2,2-dimethylhexanedioate?
The IUPAC name of dibutyltin(2+);2,2-dimethylhexanedioate (CID 22463139) is dibutyltin(2+);2,2-dimethylhexanedioate.
What is the SMILES notation for dibutyltin(2+);2,2-dimethylhexanedioate?
The canonical SMILES for dibutyltin(2+);2,2-dimethylhexanedioate is CC(C)(CCCC(=O)[O-])C(=O)[O-].CCCC[Sn+2]CCCC.
What is the InChIKey of dibutyltin(2+);2,2-dimethylhexanedioate?
The InChIKey is HQHUAKSRMTZCOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H14O4.2C4H9.Sn/c1-8(2,7(11)12)5-3-4-6(9)10;2*1-3-4-2;/h3-5H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2.
What are the key properties of dibutyltin(2+);2,2-dimethylhexanedioate?
dibutyltin(2+);2,2-dimethylhexanedioate has a molecular weight of 405.12 g/mol, XLogP of 1.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);2,2-dimethylhexanedioate is sourced from PubChem (CID 22463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).