tris(2-methyl-2-phenylpropyl)stannyl acetate

C32H42O2Sn — CID 16684204

IUPACtris(2-methyl-2-phenylpropyl)stannyl acetate
SMILESCC(=O)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/3C10H13.C2H4O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2(3)4;/h3*4-8H,1H2,2-3H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyVVMWMWOBAUFBPU-UHFFFAOYSA-M
MW577.40 g/mol
LogP8.43
Rot. Bonds10

About tris(2-methyl-2-phenylpropyl)stannyl acetate

tris(2-methyl-2-phenylpropyl)stannyl acetate (PubChem CID 16684204) has the molecular formula C32H42O2Sn and a molecular weight of 577.40 g/mol. Its IUPAC name is tris(2-methyl-2-phenylpropyl)stannyl acetate.

Molecular Properties

Compound Nametris(2-methyl-2-phenylpropyl)stannyl acetate
PubChem CID16684204
Molecular FormulaC32H42O2Sn
Molecular Weight577.40 g/mol
Exact Mass578.22
IUPAC Nametris(2-methyl-2-phenylpropyl)stannyl acetate
SMILESCC(=O)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/3C10H13.C2H4O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2(3)4;/h3*4-8H,1H2,2-3H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyVVMWMWOBAUFBPU-UHFFFAOYSA-M
XLogP8.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.40
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tris(2-methyl-2-phenylpropyl)stannyl acetate?
The IUPAC name of tris(2-methyl-2-phenylpropyl)stannyl acetate (CID 16684204) is tris(2-methyl-2-phenylpropyl)stannyl acetate.
What is the SMILES notation for tris(2-methyl-2-phenylpropyl)stannyl acetate?
The canonical SMILES for tris(2-methyl-2-phenylpropyl)stannyl acetate is CC(=O)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1.
What is the InChIKey of tris(2-methyl-2-phenylpropyl)stannyl acetate?
The InChIKey is VVMWMWOBAUFBPU-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H13.C2H4O2.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-2(3)4;/h3*4-8H,1H2,2-3H3;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of tris(2-methyl-2-phenylpropyl)stannyl acetate?
tris(2-methyl-2-phenylpropyl)stannyl acetate has a molecular weight of 577.40 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methyl-2-phenylpropyl)stannyl acetate is sourced from PubChem (CID 16684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).