methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate

C10H14O5 — CID 46910299

IUPACmethyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(O)OC(=O)C=C1C
InChIInChI=1S/C10H14O5/c1-6-5-7(11)15-10(6,13)9(2,3)8(12)14-4/h5,13H,1-4H3
InChIKeyLFJAJVKKGYRVER-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.38
Rot. Bonds2

About methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate

methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate (PubChem CID 46910299) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate
PubChem CID46910299
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(O)OC(=O)C=C1C
InChIInChI=1S/C10H14O5/c1-6-5-7(11)15-10(6,13)9(2,3)8(12)14-4/h5,13H,1-4H3
InChIKeyLFJAJVKKGYRVER-UHFFFAOYSA-N
XLogP0.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Grifolaone A
CID 139584363
2-(2,4-Ditert-butyl-5-oxofuran-2-yl)acetic acid
CID 12277334
3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5H)-one
CID 101241959
5-Hydroxy-3-[(1r)-1-hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 101241961
3-[(1s)-1-Hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 129848530
5-Hydroxy-3-[(1s)-1-hydroxy-2,2-dimethylpropyl]-4-methylfuran-2(5h)-one
CID 129848532
4-(1-Carboxyethyl)-3-methylbut-2-ene-4-olide
CID 129717696
2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid
CID 11148303
3,7-dihydroxy-7-methoxy-3-methyl-4H-2-benzofuran-1-one
CID 19927380
3,7-dihydroxy-7-methoxy-3-methyl-6H-2-benzofuran-1-one
CID 67784039
3-(4,4-Dimethyl-5-oxooxolan-2-yl)-2-methylprop-2-enoic acid
CID 68822718
5-Methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid
CID 69168838

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate (CID 46910299) is methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)C1(O)OC(=O)C=C1C.
What is the InChIKey of methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate?
The InChIKey is LFJAJVKKGYRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6-5-7(11)15-10(6,13)9(2,3)8(12)14-4/h5,13H,1-4H3.
What are the key properties of methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate?
methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate has a molecular weight of 214.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-3-methyl-5-oxofuran-2-yl)-2-methylpropanoate is sourced from PubChem (CID 46910299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).