[dodecanoyloxy(didodecyl)stannyl] dodecanoate

C48H96O4Sn — CID 16684517

IUPAC[dodecanoyloxy(didodecyl)stannyl] dodecanoate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2
InChIKeyMBPHIRCSMZIBOE-UHFFFAOYSA-L
MW856.00 g/mol
LogP17.20
Rot. Bonds44

About [dodecanoyloxy(didodecyl)stannyl] dodecanoate

[dodecanoyloxy(didodecyl)stannyl] dodecanoate (PubChem CID 16684517) has the molecular formula C48H96O4Sn and a molecular weight of 856.00 g/mol. Its IUPAC name is [dodecanoyloxy(didodecyl)stannyl] dodecanoate.

Molecular Properties

Compound Name[dodecanoyloxy(didodecyl)stannyl] dodecanoate
PubChem CID16684517
Molecular FormulaC48H96O4Sn
Molecular Weight856.00 g/mol
Exact Mass856.63
IUPAC Name[dodecanoyloxy(didodecyl)stannyl] dodecanoate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/2C12H24O2.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2
InChIKeyMBPHIRCSMZIBOE-UHFFFAOYSA-L
XLogP17.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [dodecanoyloxy(didodecyl)stannyl] dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[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
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905

Frequently Asked Questions

What is the IUPAC name of [dodecanoyloxy(didodecyl)stannyl] dodecanoate?
The IUPAC name of [dodecanoyloxy(didodecyl)stannyl] dodecanoate (CID 16684517) is [dodecanoyloxy(didodecyl)stannyl] dodecanoate.
What is the SMILES notation for [dodecanoyloxy(didodecyl)stannyl] dodecanoate?
The canonical SMILES for [dodecanoyloxy(didodecyl)stannyl] dodecanoate is CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.
What is the InChIKey of [dodecanoyloxy(didodecyl)stannyl] dodecanoate?
The InChIKey is MBPHIRCSMZIBOE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dodecanoyloxy(didodecyl)stannyl] dodecanoate?
[dodecanoyloxy(didodecyl)stannyl] dodecanoate has a molecular weight of 856.00 g/mol, XLogP of 17.20, 44 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecanoyloxy(didodecyl)stannyl] dodecanoate is sourced from PubChem (CID 16684517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).