[dibutyl(dodecanoyloxy)stannyl] dodecanoate

C32H64O4Sn — CID 16682738

IUPAC[dibutyl(dodecanoyloxy)stannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyUKLDJPRMSDWDSL-UHFFFAOYSA-L
MW631.57 g/mol
LogP10.96
Rot. Bonds28

About [dibutyl(dodecanoyloxy)stannyl] dodecanoate

[dibutyl(dodecanoyloxy)stannyl] dodecanoate (PubChem CID 16682738) has the molecular formula C32H64O4Sn and a molecular weight of 631.57 g/mol. Its IUPAC name is [dibutyl(dodecanoyloxy)stannyl] dodecanoate.

Molecular Properties

Compound Name[dibutyl(dodecanoyloxy)stannyl] dodecanoate
PubChem CID16682738
Molecular FormulaC32H64O4Sn
Molecular Weight631.57 g/mol
Exact Mass632.38
IUPAC Name[dibutyl(dodecanoyloxy)stannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyUKLDJPRMSDWDSL-UHFFFAOYSA-L
XLogP10.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.57
LogP ≤ 510.96
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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Frequently Asked Questions

What is the IUPAC name of [dibutyl(dodecanoyloxy)stannyl] dodecanoate?
The IUPAC name of [dibutyl(dodecanoyloxy)stannyl] dodecanoate (CID 16682738) is [dibutyl(dodecanoyloxy)stannyl] dodecanoate.
What is the SMILES notation for [dibutyl(dodecanoyloxy)stannyl] dodecanoate?
The canonical SMILES for [dibutyl(dodecanoyloxy)stannyl] dodecanoate is CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC.
What is the InChIKey of [dibutyl(dodecanoyloxy)stannyl] dodecanoate?
The InChIKey is UKLDJPRMSDWDSL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl(dodecanoyloxy)stannyl] dodecanoate?
[dibutyl(dodecanoyloxy)stannyl] dodecanoate has a molecular weight of 631.57 g/mol, XLogP of 10.96, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(dodecanoyloxy)stannyl] dodecanoate is sourced from PubChem (CID 16682738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).