ethane;2-ethyl-3-hydroxy-2H-furan-5-one

C8H14O3 — CID 142318670

IUPACethane;2-ethyl-3-hydroxy-2H-furan-5-one
SMILESCC.CCC1OC(=O)C=C1O
InChIInChI=1S/C6H8O3.C2H6/c1-2-5-4(7)3-6(8)9-5;1-2/h3,5,7H,2H2,1H3;1-2H3
InChIKeyOIABOUMVCQZTJV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.79
Rot. Bonds1

About ethane;2-ethyl-3-hydroxy-2H-furan-5-one

ethane;2-ethyl-3-hydroxy-2H-furan-5-one (PubChem CID 142318670) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethane;2-ethyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Nameethane;2-ethyl-3-hydroxy-2H-furan-5-one
PubChem CID142318670
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethane;2-ethyl-3-hydroxy-2H-furan-5-one
SMILESCC.CCC1OC(=O)C=C1O
InChIInChI=1S/C6H8O3.C2H6/c1-2-5-4(7)3-6(8)9-5;1-2/h3,5,7H,2H2,1H3;1-2H3
InChIKeyOIABOUMVCQZTJV-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of ethane;2-ethyl-3-hydroxy-2H-furan-5-one (CID 142318670) is ethane;2-ethyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for ethane;2-ethyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for ethane;2-ethyl-3-hydroxy-2H-furan-5-one is CC.CCC1OC(=O)C=C1O.
What is the InChIKey of ethane;2-ethyl-3-hydroxy-2H-furan-5-one?
The InChIKey is OIABOUMVCQZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C2H6/c1-2-5-4(7)3-6(8)9-5;1-2/h3,5,7H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-hydroxy-2H-furan-5-one?
ethane;2-ethyl-3-hydroxy-2H-furan-5-one has a molecular weight of 158.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 142318670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).