[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate

C20H38O4Sn — CID 13468497

IUPAC[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COC(C)=O)COC(C)=O
InChIInChI=1S/C8H11O4.3C4H9.Sn/c1-7(9)11-5-3-4-6-12-8(2)10;3*1-3-4-2;/h3H,5-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyWMMZINQJJQVGCI-UHFFFAOYSA-N
MW461.23 g/mol
LogP5.43
Rot. Bonds14

About [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate

[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate (PubChem CID 13468497) has the molecular formula C20H38O4Sn and a molecular weight of 461.23 g/mol. Its IUPAC name is [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate
PubChem CID13468497
Molecular FormulaC20H38O4Sn
Molecular Weight461.23 g/mol
Exact Mass462.18
IUPAC Name[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COC(C)=O)COC(C)=O
InChIInChI=1S/C8H11O4.3C4H9.Sn/c1-7(9)11-5-3-4-6-12-8(2)10;3*1-3-4-2;/h3H,5-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyWMMZINQJJQVGCI-UHFFFAOYSA-N
XLogP5.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
CID 11086836
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
3-methylbut-2-enyl acetate
CID 87304509
2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate
CID 14512231
(3-butylsulfanyl-3-fluoroprop-2-enyl) acetate
CID 54449645
[(E)-2-ethylhept-2-enyl] acetate
CID 88547384
2-methyldec-2-enyl acetate
CID 123999734
[(E)-3-octylsulfinylbut-2-enyl] acetate
CID 14821676
3-octylsulfinylbut-2-enyl acetate
CID 57319580
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-enyl] acetate
CID 102140931

Frequently Asked Questions

What is the IUPAC name of [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate?
The IUPAC name of [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate (CID 13468497) is [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate.
What is the SMILES notation for [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate?
The canonical SMILES for [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate is CCCC[Sn](CCCC)(CCCC)/C(=C/COC(C)=O)COC(C)=O.
What is the InChIKey of [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate?
The InChIKey is WMMZINQJJQVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4.3C4H9.Sn/c1-7(9)11-5-3-4-6-12-8(2)10;3*1-3-4-2;/h3H,5-6H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate?
[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate has a molecular weight of 461.23 g/mol, XLogP of 5.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate is sourced from PubChem (CID 13468497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).