tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate

C10H14O5 — CID 54732526

IUPACtert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCC1OC(=O)C(O)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14O5/c1-5-6(7(11)9(13)14-5)8(12)15-10(2,3)4/h5,11H,1-4H3
InChIKeyNNNVTOXGXCSGGB-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.09
Rot. Bonds1

About tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate

tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate (PubChem CID 54732526) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
PubChem CID54732526
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nametert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCC1OC(=O)C(O)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14O5/c1-5-6(7(11)9(13)14-5)8(12)15-10(2,3)4/h5,11H,1-4H3
InChIKeyNNNVTOXGXCSGGB-UHFFFAOYSA-N
XLogP1.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Acetyl-5-methyltetronic acid
CID 54689135
Mitrafungidione
CID 170989942
Hex-2-enaro-1,4-lactone ethyl ester
CID 54704415
Gazykofndqhyrb-uhfffaoysa-
CID 10867374
(S)-3-acetyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54684874
Tert-butyl 4-hydroxy-2,2-dimethyl-5-oxofuran-3-carboxylate
CID 54680717
4-Carboxy-methyl-3-methylbut-2-en-4-olide
CID 129717758
methyl 2-[(2S)-4-hydroxy-3-methoxy-5-oxo-2H-furan-2-yl]acetate
CID 135037274
methyl (2R)-2-[(2R)-4-acetyl-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
CID 54733271
3-Hydroxy-4-(3-methylbut-2-enoyl)furan-2(5H)-one
CID 330474
Jfhgnvvrfmtlgo-uhfffaoysa-
CID 10856841
Vagqebrhurwykk-uhfffaoysa-
CID 10932141

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate (CID 54732526) is tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate is CC1OC(=O)C(O)=C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The InChIKey is NNNVTOXGXCSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-6(7(11)9(13)14-5)8(12)15-10(2,3)4/h5,11H,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-methyl-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 54732526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).