6-methyl-3-phenyl-4-tributylstannylpyran-2-one

C24H36O2Sn — CID 11826863

IUPAC6-methyl-3-phenyl-4-tributylstannylpyran-2-one
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)oc(=O)c1-c1ccccc1
InChIInChI=1S/C12H9O2.3C4H9.Sn/c1-9-7-8-11(12(13)14-9)10-5-3-2-4-6-10;3*1-3-4-2;/h2-7H,1H3;3*1,3-4H2,2H3;
InChIKeyJBIJECABQSFJAB-UHFFFAOYSA-N
MW475.26 g/mol
LogP6.67
Rot. Bonds11

About 6-methyl-3-phenyl-4-tributylstannylpyran-2-one

6-methyl-3-phenyl-4-tributylstannylpyran-2-one (PubChem CID 11826863) has the molecular formula C24H36O2Sn and a molecular weight of 475.26 g/mol. Its IUPAC name is 6-methyl-3-phenyl-4-tributylstannylpyran-2-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-4-tributylstannylpyran-2-one
PubChem CID11826863
Molecular FormulaC24H36O2Sn
Molecular Weight475.26 g/mol
Exact Mass476.17
IUPAC Name6-methyl-3-phenyl-4-tributylstannylpyran-2-one
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)oc(=O)c1-c1ccccc1
InChIInChI=1S/C12H9O2.3C4H9.Sn/c1-9-7-8-11(12(13)14-9)10-5-3-2-4-6-10;3*1-3-4-2;/h2-7H,1H3;3*1,3-4H2,2H3;
InChIKeyJBIJECABQSFJAB-UHFFFAOYSA-N
XLogP6.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.26
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibromoazulene;tributyl-(3-methylazulen-1-yl)stannane
CID 161202030
tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
CID 10646461
tributyl-(4-phenyl-2-pyridinyl)stannane
CID 67508437
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
1-benzofuran-2-yl(tributyl)stannane
CID 3825856
tributyl-(4,5-dihexyl-1,8-diphenyl-2-tributylstannylthieno[3,2-e][1]benzothiol-7-yl)stannane
CID 177397936
tributyl-(5-methyl-6-phenyl-2-pyridinyl)stannane
CID 67397521
tributyl(dibenzofuran-4-yl)stannane
CID 10906594
tributyl-[2-(6-phenyl-4-tributylstannylpyridazin-3-yl)-3-pyridinyl]stannane
CID 86079466
3-methyl-2-pentyl-5-phenylfuran
CID 10823258
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
N,N-diphenyl-5-tributylstannylfuran-2-amine
CID 152704451

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-4-tributylstannylpyran-2-one?
The IUPAC name of 6-methyl-3-phenyl-4-tributylstannylpyran-2-one (CID 11826863) is 6-methyl-3-phenyl-4-tributylstannylpyran-2-one.
What is the SMILES notation for 6-methyl-3-phenyl-4-tributylstannylpyran-2-one?
The canonical SMILES for 6-methyl-3-phenyl-4-tributylstannylpyran-2-one is CCCC[Sn](CCCC)(CCCC)c1cc(C)oc(=O)c1-c1ccccc1.
What is the InChIKey of 6-methyl-3-phenyl-4-tributylstannylpyran-2-one?
The InChIKey is JBIJECABQSFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O2.3C4H9.Sn/c1-9-7-8-11(12(13)14-9)10-5-3-2-4-6-10;3*1-3-4-2;/h2-7H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 6-methyl-3-phenyl-4-tributylstannylpyran-2-one?
6-methyl-3-phenyl-4-tributylstannylpyran-2-one has a molecular weight of 475.26 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-4-tributylstannylpyran-2-one is sourced from PubChem (CID 11826863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).