ethyl 2-(2-methylpropanoyloxy)pentanoate

C11H20O4 — CID 137351273

IUPACethyl 2-(2-methylpropanoyloxy)pentanoate
SMILESCCCC(OC(=O)C(C)C)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-5-7-9(11(13)14-6-2)15-10(12)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQFASQEUMSXIZPX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds6

About ethyl 2-(2-methylpropanoyloxy)pentanoate

ethyl 2-(2-methylpropanoyloxy)pentanoate (PubChem CID 137351273) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-(2-methylpropanoyloxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropanoyloxy)pentanoate
PubChem CID137351273
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-(2-methylpropanoyloxy)pentanoate
SMILESCCCC(OC(=O)C(C)C)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-5-7-9(11(13)14-6-2)15-10(12)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQFASQEUMSXIZPX-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-(4-methylpentoxy)pentanoate
CID 83037799
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
CID 88801560
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl 2-methylpropanoate;pentachloro-λ5-stibane
CID 139244131
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
butyl 2-acetyloxypentanoate
CID 141161504
diethyl 2-propan-2-yloxybutanedioate
CID 139989245
ethyl 2-butanoyloxyheptanoate
CID 134605685
ethyl 2-(2-amino-2-ethylbutoxy)pentanoate
CID 106940048
(1-hydroxy-2,2-dimethylhexan-3-yl) 2-methylpropanoate
CID 3020767
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropanoyloxy)pentanoate?
The IUPAC name of ethyl 2-(2-methylpropanoyloxy)pentanoate (CID 137351273) is ethyl 2-(2-methylpropanoyloxy)pentanoate.
What is the SMILES notation for ethyl 2-(2-methylpropanoyloxy)pentanoate?
The canonical SMILES for ethyl 2-(2-methylpropanoyloxy)pentanoate is CCCC(OC(=O)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylpropanoyloxy)pentanoate?
The InChIKey is QFASQEUMSXIZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-7-9(11(13)14-6-2)15-10(12)8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(2-methylpropanoyloxy)pentanoate?
ethyl 2-(2-methylpropanoyloxy)pentanoate 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 ethyl 2-(2-methylpropanoyloxy)pentanoate is sourced from PubChem (CID 137351273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).