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

C7H8O4 — CID 10898935

IUPAC[(2S)-5-oxo-2H-furan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C7H8O4/c1-5(8)10-4-6-2-3-7(9)11-6/h2-3,6H,4H2,1H3/t6-/m0/s1
InChIKeyCXDHMDVSGRBHQX-LURJTMIESA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds2

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

[(2S)-5-oxo-2H-furan-2-yl]methyl acetate (PubChem CID 10898935) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is [(2S)-5-oxo-2H-furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-5-oxo-2H-furan-2-yl]methyl acetate
PubChem CID10898935
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name[(2S)-5-oxo-2H-furan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C7H8O4/c1-5(8)10-4-6-2-3-7(9)11-6/h2-3,6H,4H2,1H3/t6-/m0/s1
InChIKeyCXDHMDVSGRBHQX-LURJTMIESA-N
XLogP0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl acetate?
The IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl acetate (CID 10898935) is [(2S)-5-oxo-2H-furan-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-5-oxo-2H-furan-2-yl]methyl acetate?
The canonical SMILES for [(2S)-5-oxo-2H-furan-2-yl]methyl acetate is CC(=O)OC[C@@H]1C=CC(=O)O1.
What is the InChIKey of [(2S)-5-oxo-2H-furan-2-yl]methyl acetate?
The InChIKey is CXDHMDVSGRBHQX-LURJTMIESA-N. The full InChI is InChI=1S/C7H8O4/c1-5(8)10-4-6-2-3-7(9)11-6/h2-3,6H,4H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-5-oxo-2H-furan-2-yl]methyl acetate?
[(2S)-5-oxo-2H-furan-2-yl]methyl acetate has a molecular weight of 156.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxo-2H-furan-2-yl]methyl acetate is sourced from PubChem (CID 10898935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).