ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one

C9H18O4 — CID 144511217

IUPACethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one
SMILESCC.CCO.O=C1C=C[C@H](CO)O1
InChIInChI=1S/C5H6O3.C2H6O.C2H6/c6-3-4-1-2-5(7)8-4;1-2-3;1-2/h1-2,4,6H,3H2;3H,2H2,1H3;1-2H3/t4-;;/m1../s1
InChIKeyANNWUEZKQTUSEG-RZFWHQLPSA-N
MW190.24 g/mol
LogP0.49
Rot. Bonds1

About ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one

ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 144511217) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Nameethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID144511217
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one
SMILESCC.CCO.O=C1C=C[C@H](CO)O1
InChIInChI=1S/C5H6O3.C2H6O.C2H6/c6-3-4-1-2-5(7)8-4;1-2-3;1-2/h1-2,4,6H,3H2;3H,2H2,1H3;1-2H3/t4-;;/m1../s1
InChIKeyANNWUEZKQTUSEG-RZFWHQLPSA-N
XLogP0.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one (CID 144511217) is ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one is CC.CCO.O=C1C=C[C@H](CO)O1.
What is the InChIKey of ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is ANNWUEZKQTUSEG-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H6O3.C2H6O.C2H6/c6-3-4-1-2-5(7)8-4;1-2-3;1-2/h1-2,4,6H,3H2;3H,2H2,1H3;1-2H3/t4-;;/m1../s1.
What are the key properties of ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one?
ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 190.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;(2R)-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 144511217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).