8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione

C24H36O3Sn — CID 10577044

IUPAC8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)c2cc(C)cc(OC)c2C1=O
InChIInChI=1S/C12H9O3.3C4H9.Sn/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2;3*1-3-4-2;/h3,5-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyXQZIAJOCCUVGJV-UHFFFAOYSA-N
MW491.26 g/mol
LogP6.70
Rot. Bonds11

About 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione

8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione (PubChem CID 10577044) has the molecular formula C24H36O3Sn and a molecular weight of 491.26 g/mol. Its IUPAC name is 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione.

Molecular Properties

Compound Name8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione
PubChem CID10577044
Molecular FormulaC24H36O3Sn
Molecular Weight491.26 g/mol
Exact Mass492.17
IUPAC Name8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(=O)c2cc(C)cc(OC)c2C1=O
InChIInChI=1S/C12H9O3.3C4H9.Sn/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2;3*1-3-4-2;/h3,5-6H,1-2H3;3*1,3-4H2,2H3;
InChIKeyXQZIAJOCCUVGJV-UHFFFAOYSA-N
XLogP6.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.26
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

(+)-Eleutherin
CID 10166
1,4-Dimethoxyanthraquinone
CID 266054
Ramentaceone
CID 26905
8-Hydroxy-1-methoxy-3-methyl-9,10-anthracenedione
CID 13412789
MM 47755
CID 164046
4'-Isopropylflavone
CID 2802462
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
8-O-Methyltetrangomycin
CID 10019885
5-Methoxy-2-methylnaphthalene-1,4-dione
CID 185478
1-Methoxy-9,10-anthracenedione
CID 6707
5-Methoxytetralone
CID 36620
1,4-Naphthalenedione, 5-(phenylmethoxy)-
CID 5314033

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione?
The IUPAC name of 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione (CID 10577044) is 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione.
What is the SMILES notation for 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione?
The canonical SMILES for 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione is CCCC[Sn](CCCC)(CCCC)C1=CC(=O)c2cc(C)cc(OC)c2C1=O.
What is the InChIKey of 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione?
The InChIKey is XQZIAJOCCUVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3.3C4H9.Sn/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2;3*1-3-4-2;/h3,5-6H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione?
8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione has a molecular weight of 491.26 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-methyl-2-tributylstannylnaphthalene-1,4-dione is sourced from PubChem (CID 10577044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).