[(E)-4-tributylstannylbut-3-en-2-yl] acetate

C18H36O2Sn — CID 14112699

IUPAC[(E)-4-tributylstannylbut-3-en-2-yl] acetate
SMILESCCCC[Sn](/C=C/C(C)OC(C)=O)(CCCC)CCCC
InChIInChI=1S/C6H9O2.3C4H9.Sn/c1-4-5(2)8-6(3)7;3*1-3-4-2;/h1,4-5H,2-3H3;3*1,3-4H2,2H3;
InChIKeyAKWJHRKUQFKKML-UHFFFAOYSA-N
MW403.20 g/mol
LogP5.88
Rot. Bonds12

About [(E)-4-tributylstannylbut-3-en-2-yl] acetate

[(E)-4-tributylstannylbut-3-en-2-yl] acetate (PubChem CID 14112699) has the molecular formula C18H36O2Sn and a molecular weight of 403.20 g/mol. Its IUPAC name is [(E)-4-tributylstannylbut-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-4-tributylstannylbut-3-en-2-yl] acetate
PubChem CID14112699
Molecular FormulaC18H36O2Sn
Molecular Weight403.20 g/mol
Exact Mass404.17
IUPAC Name[(E)-4-tributylstannylbut-3-en-2-yl] acetate
SMILESCCCC[Sn](/C=C/C(C)OC(C)=O)(CCCC)CCCC
InChIInChI=1S/C6H9O2.3C4H9.Sn/c1-4-5(2)8-6(3)7;3*1-3-4-2;/h1,4-5H,2-3H3;3*1,3-4H2,2H3;
InChIKeyAKWJHRKUQFKKML-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.20
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-tributylstannylbut-3-en-2-yl] acetate?
The IUPAC name of [(E)-4-tributylstannylbut-3-en-2-yl] acetate (CID 14112699) is [(E)-4-tributylstannylbut-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-4-tributylstannylbut-3-en-2-yl] acetate?
The canonical SMILES for [(E)-4-tributylstannylbut-3-en-2-yl] acetate is CCCC[Sn](/C=C/C(C)OC(C)=O)(CCCC)CCCC.
What is the InChIKey of [(E)-4-tributylstannylbut-3-en-2-yl] acetate?
The InChIKey is AKWJHRKUQFKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.3C4H9.Sn/c1-4-5(2)8-6(3)7;3*1-3-4-2;/h1,4-5H,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-4-tributylstannylbut-3-en-2-yl] acetate?
[(E)-4-tributylstannylbut-3-en-2-yl] acetate has a molecular weight of 403.20 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-tributylstannylbut-3-en-2-yl] acetate is sourced from PubChem (CID 14112699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).