acetic acid;1-[acetyl(dibutyl)stannyl]ethanone

C16H32O6Sn — CID 162317403

IUPACacetic acid;1-[acetyl(dibutyl)stannyl]ethanone
SMILESCC(=O)O.CC(=O)O.CCCC[Sn](CCCC)(C(C)=O)C(C)=O
InChIInChI=1S/2C4H9.2C2H4O2.2C2H3O.Sn/c2*1-3-4-2;2*1-2(3)4;2*1-2-3;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);2*1H3;
InChIKeyGSVBOYNNNYBJMA-UHFFFAOYSA-N
MW439.14 g/mol
LogP3.47
Rot. Bonds8

About acetic acid;1-[acetyl(dibutyl)stannyl]ethanone

acetic acid;1-[acetyl(dibutyl)stannyl]ethanone (PubChem CID 162317403) has the molecular formula C16H32O6Sn and a molecular weight of 439.14 g/mol. Its IUPAC name is acetic acid;1-[acetyl(dibutyl)stannyl]ethanone.

Molecular Properties

Compound Nameacetic acid;1-[acetyl(dibutyl)stannyl]ethanone
PubChem CID162317403
Molecular FormulaC16H32O6Sn
Molecular Weight439.14 g/mol
Exact Mass440.12
IUPAC Nameacetic acid;1-[acetyl(dibutyl)stannyl]ethanone
SMILESCC(=O)O.CC(=O)O.CCCC[Sn](CCCC)(C(C)=O)C(C)=O
InChIInChI=1S/2C4H9.2C2H4O2.2C2H3O.Sn/c2*1-3-4-2;2*1-2(3)4;2*1-2-3;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);2*1H3;
InChIKeyGSVBOYNNNYBJMA-UHFFFAOYSA-N
XLogP3.47
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.14
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162328803
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CID 162318478
acetic acid;1-chlorobutane
CID 88522139
acetic acid;pentanoic acid
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CID 173289762
[dibutyl(propyl)stannyl]formic acid
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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[acetyl(dibutyl)stannyl]ethanone?
The IUPAC name of acetic acid;1-[acetyl(dibutyl)stannyl]ethanone (CID 162317403) is acetic acid;1-[acetyl(dibutyl)stannyl]ethanone.
What is the SMILES notation for acetic acid;1-[acetyl(dibutyl)stannyl]ethanone?
The canonical SMILES for acetic acid;1-[acetyl(dibutyl)stannyl]ethanone is CC(=O)O.CC(=O)O.CCCC[Sn](CCCC)(C(C)=O)C(C)=O.
What is the InChIKey of acetic acid;1-[acetyl(dibutyl)stannyl]ethanone?
The InChIKey is GSVBOYNNNYBJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2C2H4O2.2C2H3O.Sn/c2*1-3-4-2;2*1-2(3)4;2*1-2-3;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);2*1H3;.
What are the key properties of acetic acid;1-[acetyl(dibutyl)stannyl]ethanone?
acetic acid;1-[acetyl(dibutyl)stannyl]ethanone has a molecular weight of 439.14 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[acetyl(dibutyl)stannyl]ethanone is sourced from PubChem (CID 162317403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).