2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate

C16H32O4Sn — CID 14512231

IUPAC2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate
SMILESCCCC[Sn](CCCC)(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/2C4H7O2.2C4H9.Sn/c2*1-3-6-4(2)5;2*1-3-4-2;/h2*1,3H2,2H3;2*1,3-4H2,2H3;
InChIKeyHVOFVNCRDPTOGJ-UHFFFAOYSA-N
MW407.14 g/mol
LogP4.16
Rot. Bonds12

About 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate

2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate (PubChem CID 14512231) has the molecular formula C16H32O4Sn and a molecular weight of 407.14 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate
PubChem CID14512231
Molecular FormulaC16H32O4Sn
Molecular Weight407.14 g/mol
Exact Mass408.13
IUPAC Name2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate
SMILESCCCC[Sn](CCCC)(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/2C4H7O2.2C4H9.Sn/c2*1-3-6-4(2)5;2*1-3-4-2;/h2*1,3H2,2H3;2*1,3-4H2,2H3;
InChIKeyHVOFVNCRDPTOGJ-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.14
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyloxyethyl acetate;hexane
CID 137406148
CID 159328585
CID 159328585
CID 159701402
CID 159701402
CID 87429945
CID 87429945
octane;propyl acetate
CID 174786724
acetic acid;butyl acetate
CID 158450873
alumane;hexyl acetate
CID 174832794
azane;tetradecyl acetate
CID 87432458
magnesium;hydride;pentyl acetate
CID 174803356
CID 162323537
CID 162323537
3-(butylamino)propyl acetate
CID 82532357
butane-1,4-diol;butyl acetate
CID 87703873

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate (CID 14512231) is 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate is CCCC[Sn](CCCC)(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate?
The InChIKey is HVOFVNCRDPTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7O2.2C4H9.Sn/c2*1-3-6-4(2)5;2*1-3-4-2;/h2*1,3H2,2H3;2*1,3-4H2,2H3;.
What are the key properties of 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate?
2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate has a molecular weight of 407.14 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(dibutyl)stannyl]ethyl acetate is sourced from PubChem (CID 14512231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).