tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate

C72H140O12Sn — CID 162371792

IUPACtris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate
SMILESCCCCCCCCC(O)(CCCCCCCC)C(=O)O[Sn](OC(=O)C(O)(CCCCCCCC)CCCCCCCC)(OC(=O)C(O)(CCCCCCCC)CCCCCCCC)OC(=O)C(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/4C18H36O3.Sn/c4*1-3-5-7-9-11-13-15-18(21,17(19)20)16-14-12-10-8-6-4-2;/h4*21H,3-16H2,1-2H3,(H,19,20);/q;;;;+4/p-4
InChIKeyPVOLZJGGZJCMBD-UHFFFAOYSA-J
MW1316.61 g/mol
LogP20.52
Rot. Bonds64

About tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate

tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate (PubChem CID 162371792) has the molecular formula C72H140O12Sn and a molecular weight of 1316.61 g/mol. Its IUPAC name is tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate.

Molecular Properties

Compound Nametris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate
PubChem CID162371792
Molecular FormulaC72H140O12Sn
Molecular Weight1316.61 g/mol
Exact Mass1316.94
IUPAC Nametris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate
SMILESCCCCCCCCC(O)(CCCCCCCC)C(=O)O[Sn](OC(=O)C(O)(CCCCCCCC)CCCCCCCC)(OC(=O)C(O)(CCCCCCCC)CCCCCCCC)OC(=O)C(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/4C18H36O3.Sn/c4*1-3-5-7-9-11-13-15-18(21,17(19)20)16-14-12-10-8-6-4-2;/h4*21H,3-16H2,1-2H3,(H,19,20);/q;;;;+4/p-4
InChIKeyPVOLZJGGZJCMBD-UHFFFAOYSA-J
XLogP20.52
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds64
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.61
LogP ≤ 520.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[dibutyl-[2-hydroxy-2-(2-sulfanylethyl)dodecanoyl]oxystannyl] 2-hydroxy-2-(2-sulfanylethyl)dodecanoate
CID 139785479
octyl 2-dodecyl-2-hydroxyoctadecanoate
CID 87083782
2-hydroxy-2-pentyloctanoic acid
CID 18462834
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hexyl-2-hydroxyoctanethioic S-acid
CID 88618272
hexyl 2-ethyl-2-hydroxyoctadecanoate
CID 87284939
2-hydroxy-2-pentylheptanoic acid
CID 18462857
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192

Frequently Asked Questions

What is the IUPAC name of tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate?
The IUPAC name of tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate (CID 162371792) is tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate.
What is the SMILES notation for tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate?
The canonical SMILES for tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate is CCCCCCCCC(O)(CCCCCCCC)C(=O)O[Sn](OC(=O)C(O)(CCCCCCCC)CCCCCCCC)(OC(=O)C(O)(CCCCCCCC)CCCCCCCC)OC(=O)C(O)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate?
The InChIKey is PVOLZJGGZJCMBD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H36O3.Sn/c4*1-3-5-7-9-11-13-15-18(21,17(19)20)16-14-12-10-8-6-4-2;/h4*21H,3-16H2,1-2H3,(H,19,20);/q;;;;+4/p-4.
What are the key properties of tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate?
tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate has a molecular weight of 1316.61 g/mol, XLogP of 20.52, 64 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-hydroxy-2-octyldecanoyl)oxy]stannyl 2-hydroxy-2-octyldecanoate is sourced from PubChem (CID 162371792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).