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

C11H22O4 — CID 546409

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

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

methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 546409) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID546409
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namemethyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCC(C(=O)OC)C(O)COC(C)(C)C
InChIInChI=1S/C11H22O4/c1-6-8(10(13)14-5)9(12)7-15-11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyYOWZBWJOUAEWPU-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

Diisoamyl Malate
CID 10308226
(3S,4R,7R,8R,9S)-3,8-dihydroxy-4,7,9-trimethyl-1,5-dioxonane-2,6-dione
CID 168281174
Diisoamyl tartrate
CID 220771
4-(Tert-butoxy)-3-hydroxybutanoic acid
CID 19100216
diethyl (2R,3R)-2-methyl-3-hydroxysuccinate
CID 440395
Di-(2-methylbutyl)-DL-malate
CID 18718393
Diethyl 2-hydroxy-3-methylsuccinate
CID 582908
4-t-Butoxy-3-hydroxy-butyric acid, ethyl ester
CID 546244
Armillariol B
CID 72697110
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
CID 56936039
Diisopentyl tartrate
CID 85240
methyl (3R)-4-(tert-butoxy)-3-hydroxybutanoate
CID 13545486

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 546409) is methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate is CCC(C(=O)OC)C(O)COC(C)(C)C.
What is the InChIKey of methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is YOWZBWJOUAEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-8(10(13)14-5)9(12)7-15-11(2,3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
methyl 2-ethyl-3-hydroxy-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 methyl 2-ethyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 546409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).