(2S)-2-(hydroxymethyl)-2H-furan-5-one

C5H6O3 — CID 10176122

IUPAC(2S)-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](CO)O1
InChIInChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1
InChIKeyAWNLUIGMHSSXHB-BYPYZUCNSA-N
MW114.10 g/mol
LogP-0.54
Rot. Bonds1

About (2S)-2-(hydroxymethyl)-2H-furan-5-one

(2S)-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 10176122) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID10176122
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(2S)-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](CO)O1
InChIInChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1
InChIKeyAWNLUIGMHSSXHB-BYPYZUCNSA-N
XLogP-0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2S)-2-(hydroxymethyl)-2H-furan-5-one (CID 10176122) is (2S)-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2S)-2-(hydroxymethyl)-2H-furan-5-one is O=C1C=C[C@@H](CO)O1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is AWNLUIGMHSSXHB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-2H-furan-5-one?
(2S)-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 10176122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).