ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate

C8H10O4 — CID 134593230

IUPACethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C8H10O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1
InChIKeyLSRWPPWVRJKFIU-LURJTMIESA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds3

About ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate

ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate (PubChem CID 134593230) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate
PubChem CID134593230
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Nameethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=CC(=O)O1
InChIInChI=1S/C8H10O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1
InChIKeyLSRWPPWVRJKFIU-LURJTMIESA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate (CID 134593230) is ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate is CCOC(=O)C[C@@H]1C=CC(=O)O1.
What is the InChIKey of ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate?
The InChIKey is LSRWPPWVRJKFIU-LURJTMIESA-N. The full InChI is InChI=1S/C8H10O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1.
What are the key properties of ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate?
ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-5-oxo-2H-furan-2-yl]acetate is sourced from PubChem (CID 134593230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).