ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate

C11H20O4 — CID 103484901

IUPACethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COC(C)(C)C
InChIInChI=1S/C11H20O4/c1-5-14-10(13)7-6-9(12)8-15-11(2,3)4/h5-8H2,1-4H3
InChIKeyZJWBOCXLWKBTGF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.71
Rot. Bonds6

About ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate

ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate (PubChem CID 103484901) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
PubChem CID103484901
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)COC(C)(C)C
InChIInChI=1S/C11H20O4/c1-5-14-10(13)7-6-9(12)8-15-11(2,3)4/h5-8H2,1-4H3
InChIKeyZJWBOCXLWKBTGF-UHFFFAOYSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
CID 112603597
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
ethyl 5-butan-2-yloxy-4-oxopentanoate
CID 103484916
ethyl 5-(2-methylpropoxy)-4-oxopentanoate
CID 103484854
acetic acid;ethyl 4-oxopentanoate
CID 173361245
ethyl 4,4-diethoxypentanoate
CID 523027
1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 57241276
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 4,4-dihydroxypentanoate
CID 123268886
ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate?
The IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate (CID 103484901) is ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate is CCOC(=O)CCC(=O)COC(C)(C)C.
What is the InChIKey of ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate?
The InChIKey is ZJWBOCXLWKBTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-14-10(13)7-6-9(12)8-15-11(2,3)4/h5-8H2,1-4H3.
What are the key properties of ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate?
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate is sourced from PubChem (CID 103484901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).