2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate

C11H16O4 — CID 139586530

IUPAC2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate
SMILESCCCC1=C[C@H](CCOC(C)=O)OC1=O
InChIInChI=1S/C11H16O4/c1-3-4-9-7-10(15-11(9)13)5-6-14-8(2)12/h7,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyAXHUBCOBRUMJAI-JTQLQIEISA-N
MW212.24 g/mol
LogP1.59
Rot. Bonds5

About 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate

2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate (PubChem CID 139586530) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate
PubChem CID139586530
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate
SMILESCCCC1=C[C@H](CCOC(C)=O)OC1=O
InChIInChI=1S/C11H16O4/c1-3-4-9-7-10(15-11(9)13)5-6-14-8(2)12/h7,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyAXHUBCOBRUMJAI-JTQLQIEISA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.59
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-4-propyl-2H-furan-2-yl]ethyl acetate?
The IUPAC name of 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate (CID 139586530) is 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate.
What is the SMILES notation for 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate?
The canonical SMILES for 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate is CCCC1=C[C@H](CCOC(C)=O)OC1=O.
What is the InChIKey of 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate?
The InChIKey is AXHUBCOBRUMJAI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O4/c1-3-4-9-7-10(15-11(9)13)5-6-14-8(2)12/h7,10H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate?
2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate has a molecular weight of 212.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxo-4-propyl-2H-furan-2-yl]ethyl acetate is sourced from PubChem (CID 139586530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).