(5R)-5-(hydroxymethyl)-5-methylfuran-2-one

C6H8O3 — CID 11228805

IUPAC(5R)-5-(hydroxymethyl)-5-methylfuran-2-one
SMILESC[C@]1(CO)C=CC(=O)O1
InChIInChI=1S/C6H8O3/c1-6(4-7)3-2-5(8)9-6/h2-3,7H,4H2,1H3/t6-/m1/s1
InChIKeyYWBPYSCGWZUZTP-ZCFIWIBFSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds1

About (5R)-5-(hydroxymethyl)-5-methylfuran-2-one

(5R)-5-(hydroxymethyl)-5-methylfuran-2-one (PubChem CID 11228805) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-5-methylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-5-methylfuran-2-one
PubChem CID11228805
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(5R)-5-(hydroxymethyl)-5-methylfuran-2-one
SMILESC[C@]1(CO)C=CC(=O)O1
InChIInChI=1S/C6H8O3/c1-6(4-7)3-2-5(8)9-6/h2-3,7H,4H2,1H3/t6-/m1/s1
InChIKeyYWBPYSCGWZUZTP-ZCFIWIBFSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-5-methylfuran-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-5-methylfuran-2-one (CID 11228805) is (5R)-5-(hydroxymethyl)-5-methylfuran-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-5-methylfuran-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-5-methylfuran-2-one is C[C@]1(CO)C=CC(=O)O1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-5-methylfuran-2-one?
The InChIKey is YWBPYSCGWZUZTP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8O3/c1-6(4-7)3-2-5(8)9-6/h2-3,7H,4H2,1H3/t6-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-5-methylfuran-2-one?
(5R)-5-(hydroxymethyl)-5-methylfuran-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-5-methylfuran-2-one is sourced from PubChem (CID 11228805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).