ethyl 5-butan-2-yloxy-4-oxopentanoate

C11H20O4 — CID 103484916

IUPACethyl 5-butan-2-yloxy-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COC(C)CC
InChIInChI=1S/C11H20O4/c1-4-9(3)15-8-10(12)6-7-11(13)14-5-2/h9H,4-8H2,1-3H3
InChIKeyHMCXWCAOUMCWTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.71
Rot. Bonds8

About ethyl 5-butan-2-yloxy-4-oxopentanoate

ethyl 5-butan-2-yloxy-4-oxopentanoate (PubChem CID 103484916) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-butan-2-yloxy-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-butan-2-yloxy-4-oxopentanoate
PubChem CID103484916
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5-butan-2-yloxy-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COC(C)CC
InChIInChI=1S/C11H20O4/c1-4-9(3)15-8-10(12)6-7-11(13)14-5-2/h9H,4-8H2,1-3H3
InChIKeyHMCXWCAOUMCWTL-UHFFFAOYSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-methylpropoxy)-4-oxopentanoate
CID 103484854
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
CID 103484901
ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423
ethyl 6-(2-butan-2-yloxyethylperoxy)-6-oxohexanoate
CID 175115235
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893
1-O-ethyl 4-O-(2-methylbutyl) butanedioate
CID 523525
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
CID 86621907
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
ethyl 5-(2-methylbutylsulfinyl)-4-oxopentanoate
CID 107767867
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817

Frequently Asked Questions

What is the IUPAC name of ethyl 5-butan-2-yloxy-4-oxopentanoate?
The IUPAC name of ethyl 5-butan-2-yloxy-4-oxopentanoate (CID 103484916) is ethyl 5-butan-2-yloxy-4-oxopentanoate.
What is the SMILES notation for ethyl 5-butan-2-yloxy-4-oxopentanoate?
The canonical SMILES for ethyl 5-butan-2-yloxy-4-oxopentanoate is CCOC(=O)CCC(=O)COC(C)CC.
What is the InChIKey of ethyl 5-butan-2-yloxy-4-oxopentanoate?
The InChIKey is HMCXWCAOUMCWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-9(3)15-8-10(12)6-7-11(13)14-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 5-butan-2-yloxy-4-oxopentanoate?
ethyl 5-butan-2-yloxy-4-oxopentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butan-2-yloxy-4-oxopentanoate is sourced from PubChem (CID 103484916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).