(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate

C11H20O4 — CID 88565350

IUPAC(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
SMILESCCOC(=O)C(C)OC(=O)C(CC)CC
InChIInChI=1S/C11H20O4/c1-5-9(6-2)11(13)15-8(4)10(12)14-7-3/h8-9H,5-7H2,1-4H3
InChIKeyAHZFHDRRNRKOBP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds6

About (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate

(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate (PubChem CID 88565350) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
PubChem CID88565350
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
SMILESCCOC(=O)C(C)OC(=O)C(CC)CC
InChIInChI=1S/C11H20O4/c1-5-9(6-2)11(13)15-8(4)10(12)14-7-3/h8-9H,5-7H2,1-4H3
InChIKeyAHZFHDRRNRKOBP-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
[(2S)-1-ethoxy-1-oxopropan-2-yl] 3-oxobutanoate
CID 12529181
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
1-O-ethyl 4-O-(1-hydroxyethyl) 2-ethylbutanedioate
CID 87656388
(E)-4-(1-ethoxy-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
CID 135380311
(1-ethoxy-1-oxopropan-2-yl) 4-amino-4-hydroxybutanoate
CID 123827890

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate (CID 88565350) is (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate is CCOC(=O)C(C)OC(=O)C(CC)CC.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate?
The InChIKey is AHZFHDRRNRKOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-9(6-2)11(13)15-8(4)10(12)14-7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate?
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate is sourced from PubChem (CID 88565350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).