(5R)-5-(hydroxymethyl)oxolane-2,4-dione

C5H6O4 — CID 131848654

IUPAC(5R)-5-(hydroxymethyl)oxolane-2,4-dione
SMILESO=C1CC(=O)[C@@H](CO)O1
InChIInChI=1S/C5H6O4/c6-2-4-3(7)1-5(8)9-4/h4,6H,1-2H2/t4-/m1/s1
InChIKeyICVAYHRUYSDPHE-SCSAIBSYSA-N
MW130.10 g/mol
LogP-1.14
Rot. Bonds1

About (5R)-5-(hydroxymethyl)oxolane-2,4-dione

(5R)-5-(hydroxymethyl)oxolane-2,4-dione (PubChem CID 131848654) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)oxolane-2,4-dione
PubChem CID131848654
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(5R)-5-(hydroxymethyl)oxolane-2,4-dione
SMILESO=C1CC(=O)[C@@H](CO)O1
InChIInChI=1S/C5H6O4/c6-2-4-3(7)1-5(8)9-4/h4,6H,1-2H2/t4-/m1/s1
InChIKeyICVAYHRUYSDPHE-SCSAIBSYSA-N
XLogP-1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;5-ethyloxolane-2,4-dione
CID 143055068
3,6,9,12,15,18,21,24,27-nonakis(hydroxymethyl)-1,4,7,10,13,16,19,22,25-nonaoxacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
CID 140513854
(5S)-5-methyloxolane-2,4-dione
CID 67483929
(5R)-5-methyloxolane-2,4-dione
CID 130687098
5-(3-triethoxysilylpropyl)oxolane-2,4-dione
CID 140781108
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
CID 119097386
5,6-dimethyloxane-2,4-dione
CID 22962073
(5S,6S)-6-ethyl-5-methyloxane-2,4-dione
CID 71503715
5-(hydroxymethyl)oxolan-2-one
CID 158931038
5-(hydroxymethyl)-3-methylideneoxolane-2,4-dione
CID 143535173
(3S,6S)-3-(hydroxymethyl)-6-methyl-1,4-dioxane-2,5-dione
CID 59819049
(5S)-5,6-dimethyloxane-2,4-dione;pentane
CID 170769466

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)oxolane-2,4-dione?
The IUPAC name of (5R)-5-(hydroxymethyl)oxolane-2,4-dione (CID 131848654) is (5R)-5-(hydroxymethyl)oxolane-2,4-dione.
What is the SMILES notation for (5R)-5-(hydroxymethyl)oxolane-2,4-dione?
The canonical SMILES for (5R)-5-(hydroxymethyl)oxolane-2,4-dione is O=C1CC(=O)[C@@H](CO)O1.
What is the InChIKey of (5R)-5-(hydroxymethyl)oxolane-2,4-dione?
The InChIKey is ICVAYHRUYSDPHE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6O4/c6-2-4-3(7)1-5(8)9-4/h4,6H,1-2H2/t4-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)oxolane-2,4-dione?
(5R)-5-(hydroxymethyl)oxolane-2,4-dione has a molecular weight of 130.10 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)oxolane-2,4-dione is sourced from PubChem (CID 131848654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).