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

C6H5O4- — CID 20846022

IUPAC2-[(2S)-5-oxo-2H-furan-2-yl]acetate
SMILESO=C([O-])C[C@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1/t4-/m1/s1
InChIKeyHPEKPJGPWNSAAV-SCSAIBSYSA-M
MW141.10 g/mol
LogP-1.39
Rot. Bonds2

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

2-[(2S)-5-oxo-2H-furan-2-yl]acetate (PubChem CID 20846022) has the molecular formula C6H5O4- and a molecular weight of 141.10 g/mol. Its IUPAC name is 2-[(2S)-5-oxo-2H-furan-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S)-5-oxo-2H-furan-2-yl]acetate
PubChem CID20846022
Molecular FormulaC6H5O4-
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name2-[(2S)-5-oxo-2H-furan-2-yl]acetate
SMILESO=C([O-])C[C@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1/t4-/m1/s1
InChIKeyHPEKPJGPWNSAAV-SCSAIBSYSA-M
XLogP-1.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxo-2H-furan-2-yl]acetate?
The IUPAC name of 2-[(2S)-5-oxo-2H-furan-2-yl]acetate (CID 20846022) is 2-[(2S)-5-oxo-2H-furan-2-yl]acetate.
What is the SMILES notation for 2-[(2S)-5-oxo-2H-furan-2-yl]acetate?
The canonical SMILES for 2-[(2S)-5-oxo-2H-furan-2-yl]acetate is O=C([O-])C[C@H]1C=CC(=O)O1.
What is the InChIKey of 2-[(2S)-5-oxo-2H-furan-2-yl]acetate?
The InChIKey is HPEKPJGPWNSAAV-SCSAIBSYSA-M. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1/t4-/m1/s1.
What are the key properties of 2-[(2S)-5-oxo-2H-furan-2-yl]acetate?
2-[(2S)-5-oxo-2H-furan-2-yl]acetate has a molecular weight of 141.10 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxo-2H-furan-2-yl]acetate is sourced from PubChem (CID 20846022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).