2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

C19H34O3Sn — CID 14952258

IUPAC2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=C(C)C(=O)C12OCCO2
InChIInChI=1S/C7H7O3.3C4H9.Sn/c1-5-4-7(6(5)8)9-2-3-10-7;3*1-3-4-2;/h2-3H2,1H3;3*1,3-4H2,2H3;
InChIKeyDGEYGZGTGCADGJ-UHFFFAOYSA-N
MW429.19 g/mol
LogP5.02
Rot. Bonds10

About 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14952258) has the molecular formula C19H34O3Sn and a molecular weight of 429.19 g/mol. Its IUPAC name is 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14952258
Molecular FormulaC19H34O3Sn
Molecular Weight429.19 g/mol
Exact Mass430.15
IUPAC Name2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=C(C)C(=O)C12OCCO2
InChIInChI=1S/C7H7O3.3C4H9.Sn/c1-5-4-7(6(5)8)9-2-3-10-7;3*1-3-4-2;/h2-3H2,1H3;3*1,3-4H2,2H3;
InChIKeyDGEYGZGTGCADGJ-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.19
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14952258) is 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is CCCC[Sn](CCCC)(CCCC)C1=C(C)C(=O)C12OCCO2.
What is the InChIKey of 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is DGEYGZGTGCADGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3.3C4H9.Sn/c1-5-4-7(6(5)8)9-2-3-10-7;3*1-3-4-2;/h2-3H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 429.19 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tributylstannyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14952258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).