5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one

C6H8O4 — CID 102318968

IUPAC5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one
SMILESCC1(O)C=C(CO)C(=O)O1
InChIInChI=1S/C6H8O4/c1-6(9)2-4(3-7)5(8)10-6/h2,7,9H,3H2,1H3
InChIKeyXHPGHVRJLBQPGX-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.83
Rot. Bonds1

About 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one

5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one (PubChem CID 102318968) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one
PubChem CID102318968
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one
SMILESCC1(O)C=C(CO)C(=O)O1
InChIInChI=1S/C6H8O4/c1-6(9)2-4(3-7)5(8)10-6/h2,7,9H,3H2,1H3
InChIKeyXHPGHVRJLBQPGX-UHFFFAOYSA-N
XLogP-0.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-4-(hydroxymethyl)-3,5-dimethylfuran-2-one
CID 76447200
5-Hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one
CID 9812783
2-Furanacetic acid, 2,5-dihydro-4-methyl-5-oxo-
CID 6454820
Myrolactone B
CID 56954937
Prolipyrone B
CID 71569922
3-[5-(Hydroxymethyl)-6-oxopyran-2-yl]but-2-enoic acid
CID 78115901
Piterrione G
CID 170989539
5-Hydroxy-3-[(1r)-1-hydroxyethyl]-4-methylfuran-2(5h)-one
CID 45083261
5-Hydroxy-3-[(1S)-1-hydroxyethyl]-4-methylfuran-2(5H)-one
CID 45083262
Methyl 5-hydroxy-4,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
CID 151662
ethyl 5-hydroxy-5-(trifluoromethyl)-2H-furan-4-carboxylate
CID 20079644
5,5-Dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid
CID 12867454

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one?
The IUPAC name of 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one (CID 102318968) is 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one.
What is the SMILES notation for 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one?
The canonical SMILES for 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one is CC1(O)C=C(CO)C(=O)O1.
What is the InChIKey of 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one?
The InChIKey is XHPGHVRJLBQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-6(9)2-4(3-7)5(8)10-6/h2,7,9H,3H2,1H3.
What are the key properties of 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one?
5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one has a molecular weight of 144.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(hydroxymethyl)-5-methylfuran-2-one is sourced from PubChem (CID 102318968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).