[diethyl(tetradecanoyloxy)stannyl] tetradecanoate

C32H64O4Sn — CID 140944868

IUPAC[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Sn](CC)(CC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/2C14H28O2.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-2;/h2*2-13H2,1H3,(H,15,16);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyLYGOYESIIOCAAK-UHFFFAOYSA-L
MW631.57 g/mol
LogP10.96
Rot. Bonds28

About [diethyl(tetradecanoyloxy)stannyl] tetradecanoate

[diethyl(tetradecanoyloxy)stannyl] tetradecanoate (PubChem CID 140944868) has the molecular formula C32H64O4Sn and a molecular weight of 631.57 g/mol. Its IUPAC name is [diethyl(tetradecanoyloxy)stannyl] tetradecanoate.

Molecular Properties

Compound Name[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
PubChem CID140944868
Molecular FormulaC32H64O4Sn
Molecular Weight631.57 g/mol
Exact Mass632.38
IUPAC Name[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[Sn](CC)(CC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/2C14H28O2.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-2;/h2*2-13H2,1H3,(H,15,16);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyLYGOYESIIOCAAK-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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Related Compounds

[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
trimethylstannyl octadecanoate
CID 16685791
[di(heptanoyloxy)-methylstannyl] heptanoate
CID 139676625
tributylstannyl octanoate
CID 16683987
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
tributylstannyl dodecanoate
CID 16683295
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
pentadecanoyl hexadecanoate
CID 87499774

Frequently Asked Questions

What is the IUPAC name of [diethyl(tetradecanoyloxy)stannyl] tetradecanoate?
The IUPAC name of [diethyl(tetradecanoyloxy)stannyl] tetradecanoate (CID 140944868) is [diethyl(tetradecanoyloxy)stannyl] tetradecanoate.
What is the SMILES notation for [diethyl(tetradecanoyloxy)stannyl] tetradecanoate?
The canonical SMILES for [diethyl(tetradecanoyloxy)stannyl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[Sn](CC)(CC)OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of [diethyl(tetradecanoyloxy)stannyl] tetradecanoate?
The InChIKey is LYGOYESIIOCAAK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H28O2.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-2;/h2*2-13H2,1H3,(H,15,16);2*1H2,2H3;/q;;;;+2/p-2.
What are the key properties of [diethyl(tetradecanoyloxy)stannyl] tetradecanoate?
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate 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 [diethyl(tetradecanoyloxy)stannyl] tetradecanoate is sourced from PubChem (CID 140944868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).