[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane

C21H34OSn — CID 177489225

IUPAC[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
SMILESCCCC[Sn](/C=C1/COc2ccccc21)(CCCC)CCCC
InChIInChI=1S/C9H7O.3C4H9.Sn/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-3-4-2;/h1-5H,6H2;3*1,3-4H2,2H3;
InChIKeyCRBHVZMKAJYMIG-UHFFFAOYSA-N
MW421.21 g/mol
LogP6.85
Rot. Bonds10

About [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane

[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane (PubChem CID 177489225) has the molecular formula C21H34OSn and a molecular weight of 421.21 g/mol. Its IUPAC name is [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane.

Molecular Properties

Compound Name[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
PubChem CID177489225
Molecular FormulaC21H34OSn
Molecular Weight421.21 g/mol
Exact Mass422.16
IUPAC Name[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
SMILESCCCC[Sn](/C=C1/COc2ccccc21)(CCCC)CCCC
InChIInChI=1S/C9H7O.3C4H9.Sn/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-3-4-2;/h1-5H,6H2;3*1,3-4H2,2H3;
InChIKeyCRBHVZMKAJYMIG-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.21
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane?
The IUPAC name of [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane (CID 177489225) is [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane.
What is the SMILES notation for [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane?
The canonical SMILES for [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane is CCCC[Sn](/C=C1/COc2ccccc21)(CCCC)CCCC.
What is the InChIKey of [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane?
The InChIKey is CRBHVZMKAJYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7O.3C4H9.Sn/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-3-4-2;/h1-5H,6H2;3*1,3-4H2,2H3;.
What are the key properties of [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane?
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane has a molecular weight of 421.21 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane is sourced from PubChem (CID 177489225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).