[di(dodecanoyloxy)-hexylstannyl] dodecanoate

C42H82O6Sn — CID 141110881

IUPAC[di(dodecanoyloxy)-hexylstannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/3C12H24O2.C6H13.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-6H2,2H3;/q;;;;+3/p-3
InChIKeyFOZKAQMRLKYHQF-UHFFFAOYSA-K
MW801.82 g/mol
LogP13.90
Rot. Bonds38

About [di(dodecanoyloxy)-hexylstannyl] dodecanoate

[di(dodecanoyloxy)-hexylstannyl] dodecanoate (PubChem CID 141110881) has the molecular formula C42H82O6Sn and a molecular weight of 801.82 g/mol. Its IUPAC name is [di(dodecanoyloxy)-hexylstannyl] dodecanoate.

Molecular Properties

Compound Name[di(dodecanoyloxy)-hexylstannyl] dodecanoate
PubChem CID141110881
Molecular FormulaC42H82O6Sn
Molecular Weight801.82 g/mol
Exact Mass802.51
IUPAC Name[di(dodecanoyloxy)-hexylstannyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/3C12H24O2.C6H13.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-6H2,2H3;/q;;;;+3/p-3
InChIKeyFOZKAQMRLKYHQF-UHFFFAOYSA-K
XLogP13.90
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds38
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.82
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
[di(butanoyloxy)-dodecylstannyl] butanoate
CID 139676665
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
tributylstannyl octanoate
CID 16683987
tributylstannyl dodecanoate
CID 16683295
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[di(heptanoyloxy)-methylstannyl] heptanoate
CID 139676625
trimethylstannyl octadecanoate
CID 16685791
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[dodecyl-bis[(2-hexylsulfanylacetyl)oxy]stannyl] 2-hexylsulfanylacetate
CID 139892339
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of [di(dodecanoyloxy)-hexylstannyl] dodecanoate?
The IUPAC name of [di(dodecanoyloxy)-hexylstannyl] dodecanoate (CID 141110881) is [di(dodecanoyloxy)-hexylstannyl] dodecanoate.
What is the SMILES notation for [di(dodecanoyloxy)-hexylstannyl] dodecanoate?
The canonical SMILES for [di(dodecanoyloxy)-hexylstannyl] dodecanoate is CCCCCCCCCCCC(=O)O[Sn](CCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.
What is the InChIKey of [di(dodecanoyloxy)-hexylstannyl] dodecanoate?
The InChIKey is FOZKAQMRLKYHQF-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H24O2.C6H13.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-6H2,2H3;/q;;;;+3/p-3.
What are the key properties of [di(dodecanoyloxy)-hexylstannyl] dodecanoate?
[di(dodecanoyloxy)-hexylstannyl] dodecanoate has a molecular weight of 801.82 g/mol, XLogP of 13.90, 38 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [di(dodecanoyloxy)-hexylstannyl] dodecanoate is sourced from PubChem (CID 141110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).