1-benzofuran-2-yl(tributyl)stannane

C20H32OSn — CID 3825856

IUPAC1-benzofuran-2-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2ccccc2o1
InChIInChI=1S/C8H5O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyQNUISEYPCDPLDS-UHFFFAOYSA-N
MW407.19 g/mol
LogP6.49
Rot. Bonds10

About 1-benzofuran-2-yl(tributyl)stannane

1-benzofuran-2-yl(tributyl)stannane (PubChem CID 3825856) has the molecular formula C20H32OSn and a molecular weight of 407.19 g/mol. Its IUPAC name is 1-benzofuran-2-yl(tributyl)stannane.

Molecular Properties

Compound Name1-benzofuran-2-yl(tributyl)stannane
PubChem CID3825856
Molecular FormulaC20H32OSn
Molecular Weight407.19 g/mol
Exact Mass408.15
IUPAC Name1-benzofuran-2-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2ccccc2o1
InChIInChI=1S/C8H5O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyQNUISEYPCDPLDS-UHFFFAOYSA-N
XLogP6.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.19
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-decyl-1-benzofuran
CID 15365265
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-benzofuran-2-yl(5-butylnonan-5-yl)tin
CID 141133394
tributyl(dibenzofuran-4-yl)stannane
CID 10906594
tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
CID 10646461
tributyl(1H-indol-2-yl)stannane
CID 15767833
ethane;hexane;propane;3-propanoylchromen-2-one
CID 142053416
3-(butylamino)chromen-2-one
CID 154352647
S-butyl 2-oxochromene-3-carbothioate
CID 90645396
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(tributyl)stannane?
The IUPAC name of 1-benzofuran-2-yl(tributyl)stannane (CID 3825856) is 1-benzofuran-2-yl(tributyl)stannane.
What is the SMILES notation for 1-benzofuran-2-yl(tributyl)stannane?
The canonical SMILES for 1-benzofuran-2-yl(tributyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl(tributyl)stannane?
The InChIKey is QNUISEYPCDPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;.
What are the key properties of 1-benzofuran-2-yl(tributyl)stannane?
1-benzofuran-2-yl(tributyl)stannane has a molecular weight of 407.19 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(tributyl)stannane is sourced from PubChem (CID 3825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).