ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate

C17H24O4 — CID 103484893

IUPACethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccccc1C(C)CC
InChIInChI=1S/C17H24O4/c1-4-13(3)15-8-6-7-9-16(15)21-12-14(18)10-11-17(19)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeySDWLNGXULXWYMA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.49
Rot. Bonds9

About ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate

ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate (PubChem CID 103484893) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
PubChem CID103484893
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COc1ccccc1C(C)CC
InChIInChI=1S/C17H24O4/c1-4-13(3)15-8-6-7-9-16(15)21-12-14(18)10-11-17(19)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeySDWLNGXULXWYMA-UHFFFAOYSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
2-[(2-butan-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 103066748
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate (CID 103484893) is ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate is CCOC(=O)CCC(=O)COc1ccccc1C(C)CC.
What is the InChIKey of ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate?
The InChIKey is SDWLNGXULXWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-13(3)15-8-6-7-9-16(15)21-12-14(18)10-11-17(19)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate?
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate has a molecular weight of 292.38 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate is sourced from PubChem (CID 103484893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).