(acetyloxy-ethyl-propylstannyl) acetate

C9H18O4Sn — CID 139995904

IUPAC(acetyloxy-ethyl-propylstannyl) acetate
SMILESCCC[Sn](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C3H7.2C2H4O2.C2H5.Sn/c1-3-2;2*1-2(3)4;1-2;/h1,3H2,2H3;2*1H3,(H,3,4);1H2,2H3;/q;;;;+2/p-2
InChIKeyYEAHIHRURRRZSI-UHFFFAOYSA-L
MW308.95 g/mol
LogP1.98
Rot. Bonds5

About (acetyloxy-ethyl-propylstannyl) acetate

(acetyloxy-ethyl-propylstannyl) acetate (PubChem CID 139995904) has the molecular formula C9H18O4Sn and a molecular weight of 308.95 g/mol. Its IUPAC name is (acetyloxy-ethyl-propylstannyl) acetate.

Molecular Properties

Compound Name(acetyloxy-ethyl-propylstannyl) acetate
PubChem CID139995904
Molecular FormulaC9H18O4Sn
Molecular Weight308.95 g/mol
Exact Mass310.02
IUPAC Name(acetyloxy-ethyl-propylstannyl) acetate
SMILESCCC[Sn](CC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C3H7.2C2H4O2.C2H5.Sn/c1-3-2;2*1-2(3)4;1-2;/h1,3H2,2H3;2*1H3,(H,3,4);1H2,2H3;/q;;;;+2/p-2
InChIKeyYEAHIHRURRRZSI-UHFFFAOYSA-L
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.95
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

triethylstannyl acetate
CID 16682966
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
[ethyl(dipentyl)stannyl] acetate
CID 119025994
tripentylstannyl acetate
CID 16684347
butyl 3-[diacetyloxy-(3-butoxy-3-oxopropyl)stannyl]propanoate
CID 16697461
[acetyloxy(dioctyl)stannyl] dodeca-2,4,6,8,10-pentaynoate
CID 160720484
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[diethyl(phenyl)stannyl] acetate
CID 16684174
amino acetate;butane
CID 90344227
[acetyloxy(dichloro)stannyl] acetate
CID 16705556
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[butyl(diethyl)stannyl] 2-methylprop-2-enoate
CID 173373063

Frequently Asked Questions

What is the IUPAC name of (acetyloxy-ethyl-propylstannyl) acetate?
The IUPAC name of (acetyloxy-ethyl-propylstannyl) acetate (CID 139995904) is (acetyloxy-ethyl-propylstannyl) acetate.
What is the SMILES notation for (acetyloxy-ethyl-propylstannyl) acetate?
The canonical SMILES for (acetyloxy-ethyl-propylstannyl) acetate is CCC[Sn](CC)(OC(C)=O)OC(C)=O.
What is the InChIKey of (acetyloxy-ethyl-propylstannyl) acetate?
The InChIKey is YEAHIHRURRRZSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7.2C2H4O2.C2H5.Sn/c1-3-2;2*1-2(3)4;1-2;/h1,3H2,2H3;2*1H3,(H,3,4);1H2,2H3;/q;;;;+2/p-2.
What are the key properties of (acetyloxy-ethyl-propylstannyl) acetate?
(acetyloxy-ethyl-propylstannyl) acetate has a molecular weight of 308.95 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-ethyl-propylstannyl) acetate is sourced from PubChem (CID 139995904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).