ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate

C10H14O5 — CID 83821414

IUPACethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)OC1C(C)C
InChIInChI=1S/C10H14O5/c1-4-14-9(12)6-7(11)10(13)15-8(6)5(2)3/h5,8,11H,4H2,1-3H3
InChIKeyOGNPGRHHJNGUJG-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.94
Rot. Bonds3

About ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate

ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate (PubChem CID 83821414) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate
PubChem CID83821414
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)OC1C(C)C
InChIInChI=1S/C10H14O5/c1-4-14-9(12)6-7(11)10(13)15-8(6)5(2)3/h5,8,11H,4H2,1-3H3
InChIKeyOGNPGRHHJNGUJG-UHFFFAOYSA-N
XLogP0.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-butyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 54684867
(2S)-3-hydroxy-2-methyl-4-propanoyl-2H-furan-5-one
CID 101619141
4-(1-Carboxyethyl)-3-methylbut-2-ene-4-olide
CID 129717696
(2S,4R)-6-methoxycarbonyl-4-methyl-2,3,4,7-tetrahydrooxepine-2-carboxylic acid
CID 131357578
(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one
CID 134895271
methyl 2-but-3-enyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 139257714
Jfhgnvvrfmtlgo-uhfffaoysa-
CID 10856841
Vagqebrhurwykk-uhfffaoysa-
CID 10932141
3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-furan-5-one
CID 13112795
3-Hydroxy-4-(2-methylpropanoyl)-5-propan-2-ylidenefuran-2-one
CID 21605570
4-hydroxy-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
CID 13199938
(R)-2-hydroxy-3-methoxycarbonyl-2-penten-4-olide
CID 54688321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate (CID 83821414) is ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate is CCOC(=O)C1=C(O)C(=O)OC1C(C)C.
What is the InChIKey of ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate?
The InChIKey is OGNPGRHHJNGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-14-9(12)6-7(11)10(13)15-8(6)5(2)3/h5,8,11H,4H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate?
ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxo-2-propan-2-yl-2H-furan-3-carboxylate is sourced from PubChem (CID 83821414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).