propyl 2,3-diethyl-4-oxopentanoate

C12H22O3 — CID 142730005

IUPACpropyl 2,3-diethyl-4-oxopentanoate
SMILESCCCOC(=O)C(CC)C(CC)C(C)=O
InChIInChI=1S/C12H22O3/c1-5-8-15-12(14)11(7-3)10(6-2)9(4)13/h10-11H,5-8H2,1-4H3
InChIKeyJJHGTHRMUCDILA-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.58
Rot. Bonds7

About propyl 2,3-diethyl-4-oxopentanoate

propyl 2,3-diethyl-4-oxopentanoate (PubChem CID 142730005) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is propyl 2,3-diethyl-4-oxopentanoate.

Molecular Properties

Compound Namepropyl 2,3-diethyl-4-oxopentanoate
PubChem CID142730005
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namepropyl 2,3-diethyl-4-oxopentanoate
SMILESCCCOC(=O)C(CC)C(CC)C(C)=O
InChIInChI=1S/C12H22O3/c1-5-8-15-12(14)11(7-3)10(6-2)9(4)13/h10-11H,5-8H2,1-4H3
InChIKeyJJHGTHRMUCDILA-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethyl-4-oxopentanoic acid
CID 20649735
propyl 2-amino-3-oxobutanoate
CID 174900765
propyl (2R)-2-methylbutanoate
CID 86306230
ethyl (2R,3S)-3-ethyl-2-hydroxy-4-oxopentanoate
CID 171755854
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
CID 175808043
CID 175808043
2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
2-hydroxy-3-oxo-3-propoxypropanoic acid
CID 21477330
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
octyl 2,3-diethyl-4-oxohexanoate
CID 142729905
propyl 2-acetyloxybutanoate
CID 141161519
propyl 2,3-dihydroxy-4-methylpent-3-enoate
CID 18431824

Frequently Asked Questions

What is the IUPAC name of propyl 2,3-diethyl-4-oxopentanoate?
The IUPAC name of propyl 2,3-diethyl-4-oxopentanoate (CID 142730005) is propyl 2,3-diethyl-4-oxopentanoate.
What is the SMILES notation for propyl 2,3-diethyl-4-oxopentanoate?
The canonical SMILES for propyl 2,3-diethyl-4-oxopentanoate is CCCOC(=O)C(CC)C(CC)C(C)=O.
What is the InChIKey of propyl 2,3-diethyl-4-oxopentanoate?
The InChIKey is JJHGTHRMUCDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-8-15-12(14)11(7-3)10(6-2)9(4)13/h10-11H,5-8H2,1-4H3.
What are the key properties of propyl 2,3-diethyl-4-oxopentanoate?
propyl 2,3-diethyl-4-oxopentanoate has a molecular weight of 214.30 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,3-diethyl-4-oxopentanoate is sourced from PubChem (CID 142730005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).