[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate

C34H64O6Sn — CID 139889435

IUPAC[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CC(=O)CC)OC(=O)CC(=O)CC
InChIInChI=1S/2C12H25.2C5H8O3.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-4(6)3-5(7)8;/h2*1,3-12H2,2H3;2*2-3H2,1H3,(H,7,8);/q;;;;+2/p-2
InChIKeyVEPUDSJOFOUZDA-UHFFFAOYSA-L
MW687.59 g/mol
LogP10.10
Rot. Bonds30

About [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate

[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate (PubChem CID 139889435) has the molecular formula C34H64O6Sn and a molecular weight of 687.59 g/mol. Its IUPAC name is [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate.

Molecular Properties

Compound Name[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate
PubChem CID139889435
Molecular FormulaC34H64O6Sn
Molecular Weight687.59 g/mol
Exact Mass688.37
IUPAC Name[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CC(=O)CC)OC(=O)CC(=O)CC
InChIInChI=1S/2C12H25.2C5H8O3.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-4(6)3-5(7)8;/h2*1,3-12H2,2H3;2*2-3H2,1H3,(H,7,8);/q;;;;+2/p-2
InChIKeyVEPUDSJOFOUZDA-UHFFFAOYSA-L
XLogP10.10
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.59
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate 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
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[(2-methylsulfanylacetyl)oxy-dioctylstannyl] 2-methylsulfanylacetate
CID 139785507
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477
[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[(2-butylsulfanylacetyl)oxy-didodecylstannyl] 2-butylsulfanylacetate
CID 139785520
[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate
CID 139892414
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[[(9E,12E)-octadeca-9,12-dienoyl]oxy-dioctylstannyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 118856673
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
[(2-acetyl-3-oxobutanoyl)oxy-dioctylstannyl] 2-acetyl-3-oxobutanoate
CID 140505069

Frequently Asked Questions

What is the IUPAC name of [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate?
The IUPAC name of [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate (CID 139889435) is [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate.
What is the SMILES notation for [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate?
The canonical SMILES for [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate is CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CC(=O)CC)OC(=O)CC(=O)CC.
What is the InChIKey of [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate?
The InChIKey is VEPUDSJOFOUZDA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H25.2C5H8O3.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-4(6)3-5(7)8;/h2*1,3-12H2,2H3;2*2-3H2,1H3,(H,7,8);/q;;;;+2/p-2.
What are the key properties of [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate?
[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate has a molecular weight of 687.59 g/mol, XLogP of 10.10, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate is sourced from PubChem (CID 139889435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).