ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate

C11H20O5 — CID 122517287

IUPACethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate
SMILESCCOC(=O)OCC(C)(CC)C(=O)OCC
InChIInChI=1S/C11H20O5/c1-5-11(4,9(12)14-6-2)8-16-10(13)15-7-3/h5-8H2,1-4H3
InChIKeyARGUTTHWTSCLRX-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate

ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate (PubChem CID 122517287) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate
PubChem CID122517287
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate
SMILESCCOC(=O)OCC(C)(CC)C(=O)OCC
InChIInChI=1S/C11H20O5/c1-5-11(4,9(12)14-6-2)8-16-10(13)15-7-3/h5-8H2,1-4H3
InChIKeyARGUTTHWTSCLRX-UHFFFAOYSA-N
XLogP2.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethoxycarbonyloxymethyl)-2-methylpentanoate
CID 122517397
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
[3-ethoxy-2-methyl-2-(3-methylpentan-3-yloxymethyl)-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 166789503
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190
2-ethoxycarbonyl-2-methylbutane-1-sulfinate
CID 174696519
ethyl (2S)-2-(cyanomethyl)-2-methylbutanoate
CID 155818706
CID 175796855
CID 175796855
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]butanoate
CID 58175806
ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
CID 122517263
ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
ethyl 2-(hydroxymethyl)-2-methyl-3-[2-(3-oxopropoxy)ethoxycarbonyloxy]propanoate
CID 58312472

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate?
The IUPAC name of ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate (CID 122517287) is ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate?
The canonical SMILES for ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate is CCOC(=O)OCC(C)(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate?
The InChIKey is ARGUTTHWTSCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-11(4,9(12)14-6-2)8-16-10(13)15-7-3/h5-8H2,1-4H3.
What are the key properties of ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate?
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate has a molecular weight of 232.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate is sourced from PubChem (CID 122517287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).