ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate

C11H22O4 — CID 546410

IUPACethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)C(C)C(O)COC(C)(C)C
InChIInChI=1S/C11H22O4/c1-6-14-10(13)8(2)9(12)7-15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyROTHNBAURREORS-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.36
Rot. Bonds5

About ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate

ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 546410) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID546410
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)C(C)C(O)COC(C)(C)C
InChIInChI=1S/C11H22O4/c1-6-14-10(13)8(2)9(12)7-15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyROTHNBAURREORS-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
5-ethoxy-3-hydroxy-4-methyl-5-oxopentanoic acid
CID 87648093
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025
ethyl (2R,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 7154340
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 546410) is ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate is CCOC(=O)C(C)C(O)COC(C)(C)C.
What is the InChIKey of ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is ROTHNBAURREORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-14-10(13)8(2)9(12)7-15-11(3,4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate?
ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 218.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 546410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).