[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate

C24H40O3Sn — CID 69183346

IUPAC[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2CC(OC(C)=O)CO2)cc1
InChIInChI=1S/C12H13O3.3C4H9.Sn/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h3-6,11-12H,7-8H2,1H3;3*1,3-4H2,2H3;
InChIKeyWTLNDBXKQCECQW-UHFFFAOYSA-N
MW495.29 g/mol
LogP6.14
Rot. Bonds12

About [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate

[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate (PubChem CID 69183346) has the molecular formula C24H40O3Sn and a molecular weight of 495.29 g/mol. Its IUPAC name is [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate
PubChem CID69183346
Molecular FormulaC24H40O3Sn
Molecular Weight495.29 g/mol
Exact Mass496.20
IUPAC Name[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2CC(OC(C)=O)CO2)cc1
InChIInChI=1S/C12H13O3.3C4H9.Sn/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h3-6,11-12H,7-8H2,1H3;3*1,3-4H2,2H3;
InChIKeyWTLNDBXKQCECQW-UHFFFAOYSA-N
XLogP6.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate?
The IUPAC name of [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate (CID 69183346) is [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate.
What is the SMILES notation for [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate?
The canonical SMILES for [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate is CCCC[Sn](CCCC)(CCCC)c1ccc(C2CC(OC(C)=O)CO2)cc1.
What is the InChIKey of [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate?
The InChIKey is WTLNDBXKQCECQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O3.3C4H9.Sn/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h3-6,11-12H,7-8H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate?
[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate has a molecular weight of 495.29 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tributylstannylphenyl)oxolan-3-yl] acetate is sourced from PubChem (CID 69183346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).