[dodecanoyloxy(dihexyl)stannyl] dodecanoate

C36H72O4Sn — CID 16685116

IUPAC[dodecanoyloxy(dihexyl)stannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCCCC)(CCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C6H13.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-6H2,2H3;/q;;;;+2/p-2
InChIKeyXHGCVHPVWFHMLR-UHFFFAOYSA-L
MW687.68 g/mol
LogP12.52
Rot. Bonds32

About [dodecanoyloxy(dihexyl)stannyl] dodecanoate

[dodecanoyloxy(dihexyl)stannyl] dodecanoate (PubChem CID 16685116) has the molecular formula C36H72O4Sn and a molecular weight of 687.68 g/mol. Its IUPAC name is [dodecanoyloxy(dihexyl)stannyl] dodecanoate.

Molecular Properties

Compound Name[dodecanoyloxy(dihexyl)stannyl] dodecanoate
PubChem CID16685116
Molecular FormulaC36H72O4Sn
Molecular Weight687.68 g/mol
Exact Mass688.45
IUPAC Name[dodecanoyloxy(dihexyl)stannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCCCC)(CCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C6H13.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-6H2,2H3;/q;;;;+2/p-2
InChIKeyXHGCVHPVWFHMLR-UHFFFAOYSA-L
XLogP12.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.68
LogP ≤ 512.52
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

[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477
[[(9E,12E)-octadeca-9,12-dienoyl]oxy-dioctylstannyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 118856673
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
CID 90470537
tributylstannyl dodecanoate
CID 16683295
tributylstannyl octanoate
CID 16683987

Frequently Asked Questions

What is the IUPAC name of [dodecanoyloxy(dihexyl)stannyl] dodecanoate?
The IUPAC name of [dodecanoyloxy(dihexyl)stannyl] dodecanoate (CID 16685116) is [dodecanoyloxy(dihexyl)stannyl] dodecanoate.
What is the SMILES notation for [dodecanoyloxy(dihexyl)stannyl] dodecanoate?
The canonical SMILES for [dodecanoyloxy(dihexyl)stannyl] dodecanoate is CCCCCCCCCCCC(=O)O[Sn](CCCCCC)(CCCCCC)OC(=O)CCCCCCCCCCC.
What is the InChIKey of [dodecanoyloxy(dihexyl)stannyl] dodecanoate?
The InChIKey is XHGCVHPVWFHMLR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2C6H13.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-6H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dodecanoyloxy(dihexyl)stannyl] dodecanoate?
[dodecanoyloxy(dihexyl)stannyl] dodecanoate has a molecular weight of 687.68 g/mol, XLogP of 12.52, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecanoyloxy(dihexyl)stannyl] dodecanoate is sourced from PubChem (CID 16685116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).