methyl 2-ethyl-5-oxopentanoate

C8H14O3 — CID 10997312

IUPACmethyl 2-ethyl-5-oxopentanoate
SMILESCCC(CCC=O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-3-7(5-4-6-9)8(10)11-2/h6-7H,3-5H2,1-2H3
InChIKeyHOBLSTAJUJDTNI-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-ethyl-5-oxopentanoate

methyl 2-ethyl-5-oxopentanoate (PubChem CID 10997312) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-ethyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-oxopentanoate
PubChem CID10997312
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-ethyl-5-oxopentanoate
SMILESCCC(CCC=O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-3-7(5-4-6-9)8(10)11-2/h6-7H,3-5H2,1-2H3
InChIKeyHOBLSTAJUJDTNI-UHFFFAOYSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-deuterioethyl)-5-oxopentanoate
CID 58697694
2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
methyl 2-ethyl-4-(3-methoxycarbonylpentyldisulfanyl)butanoate
CID 141221239
5-methoxycarbonylheptanoic acid
CID 174416227
dimethyl 2-(4-oxobutyl)heptanedioate
CID 141336687
dimethyl 2-ethylnonanedioate
CID 87129030
dimethyl 2-ethyloctadecanedioate
CID 87117347
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 4-chloro-2-ethyl-4-oxobutanoate
CID 21338185
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
ethyl 2-methyl-5-oxopentanoate
CID 57121376
trimethyl hexane-1,2,4-tricarboxylate
CID 58784992

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-oxopentanoate?
The IUPAC name of methyl 2-ethyl-5-oxopentanoate (CID 10997312) is methyl 2-ethyl-5-oxopentanoate.
What is the SMILES notation for methyl 2-ethyl-5-oxopentanoate?
The canonical SMILES for methyl 2-ethyl-5-oxopentanoate is CCC(CCC=O)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-oxopentanoate?
The InChIKey is HOBLSTAJUJDTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7(5-4-6-9)8(10)11-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-ethyl-5-oxopentanoate?
methyl 2-ethyl-5-oxopentanoate has a molecular weight of 158.20 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-oxopentanoate is sourced from PubChem (CID 10997312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).