tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate

C16H28O12Sn — CID 162371791

IUPACtris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)O[Sn](OC(=O)C(C)(C)O)(OC(=O)C(C)(C)O)OC(=O)C(C)(C)O
InChIInChI=1S/4C4H8O3.Sn/c4*1-4(2,7)3(5)6;/h4*7H,1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyHOSPTITVXQCTEF-UHFFFAOYSA-J
MW531.10 g/mol
LogP-1.32
Rot. Bonds8

About tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate

tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate (PubChem CID 162371791) has the molecular formula C16H28O12Sn and a molecular weight of 531.10 g/mol. Its IUPAC name is tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nametris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate
PubChem CID162371791
Molecular FormulaC16H28O12Sn
Molecular Weight531.10 g/mol
Exact Mass532.06
IUPAC Nametris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)O[Sn](OC(=O)C(C)(C)O)(OC(=O)C(C)(C)O)OC(=O)C(C)(C)O
InChIInChI=1S/4C4H8O3.Sn/c4*1-4(2,7)3(5)6;/h4*7H,1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyHOSPTITVXQCTEF-UHFFFAOYSA-J
XLogP-1.32
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.10
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
CID 166505180
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 159782312
but-3-enyl 2-hydroxy-2-methylpropanoate
CID 18413295
carbonic acid;2-methylpropan-2-ol
CID 87955021
[diacetyloxy(tert-butyl)stannyl] acetate
CID 141110891
CID 102335903
CID 102335903
[acetyloxy(ditert-butyl)stannyl] acetate
CID 16712568
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate
CID 167200781

Frequently Asked Questions

What is the IUPAC name of tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate (CID 162371791) is tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate is CC(C)(O)C(=O)O[Sn](OC(=O)C(C)(C)O)(OC(=O)C(C)(C)O)OC(=O)C(C)(C)O.
What is the InChIKey of tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate?
The InChIKey is HOSPTITVXQCTEF-UHFFFAOYSA-J. The full InChI is InChI=1S/4C4H8O3.Sn/c4*1-4(2,7)3(5)6;/h4*7H,1-2H3,(H,5,6);/q;;;;+4/p-4.
What are the key properties of tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate?
tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate has a molecular weight of 531.10 g/mol, XLogP of -1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 162371791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).