ethyl butanoate;ethyl propanoate

C11H22O4 — CID 159309203

IUPACethyl butanoate;ethyl propanoate
SMILESCCCC(=O)OCC.CCOC(=O)CC
InChIInChI=1S/C6H12O2.C5H10O2/c1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyLCHWYIIJDKDMII-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.31
Rot. Bonds5

About ethyl butanoate;ethyl propanoate

ethyl butanoate;ethyl propanoate (PubChem CID 159309203) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl butanoate;ethyl propanoate.

Molecular Properties

Compound Nameethyl butanoate;ethyl propanoate
PubChem CID159309203
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl butanoate;ethyl propanoate
SMILESCCCC(=O)OCC.CCOC(=O)CC
InChIInChI=1S/C6H12O2.C5H10O2/c1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyLCHWYIIJDKDMII-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162105702
butane-2,3-dione;ethyl butanoate
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CID 171374953
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calcium;ethyl propanoate;hydride
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Frequently Asked Questions

What is the IUPAC name of ethyl butanoate;ethyl propanoate?
The IUPAC name of ethyl butanoate;ethyl propanoate (CID 159309203) is ethyl butanoate;ethyl propanoate.
What is the SMILES notation for ethyl butanoate;ethyl propanoate?
The canonical SMILES for ethyl butanoate;ethyl propanoate is CCCC(=O)OCC.CCOC(=O)CC.
What is the InChIKey of ethyl butanoate;ethyl propanoate?
The InChIKey is LCHWYIIJDKDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O2/c1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-5H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethyl butanoate;ethyl propanoate?
ethyl butanoate;ethyl propanoate has a molecular weight of 218.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl butanoate;ethyl propanoate is sourced from PubChem (CID 159309203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).