(5R)-5-methyloxolane-2,4-dione

C5H6O3 — CID 130687098

IUPAC(5R)-5-methyloxolane-2,4-dione
SMILESC[C@H]1OC(=O)CC1=O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h3H,2H2,1H3/t3-/m1/s1
InChIKeyZIQFRNVCLDSOAB-GSVOUGTGSA-N
MW114.10 g/mol
LogP-0.11
Rot. Bonds

About (5R)-5-methyloxolane-2,4-dione

(5R)-5-methyloxolane-2,4-dione (PubChem CID 130687098) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (5R)-5-methyloxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyloxolane-2,4-dione
PubChem CID130687098
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(5R)-5-methyloxolane-2,4-dione
SMILESC[C@H]1OC(=O)CC1=O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h3H,2H2,1H3/t3-/m1/s1
InChIKeyZIQFRNVCLDSOAB-GSVOUGTGSA-N
XLogP-0.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyloxolane-2,4-dione
CID 67483929
5,6-dimethyloxane-2,4-dione
CID 22962073
(5S,6S)-6-ethyl-5-methyloxane-2,4-dione
CID 71503715
ethane;5-ethyloxolane-2,4-dione
CID 143055068
(2S)-2-methyl-4H-chromen-3-one
CID 129362501
(5S)-5,6-dimethyloxane-2,4-dione;pentane
CID 170769466
(6R)-6-methyloxane-2,4-dione
CID 11804775
(5R)-5-(hydroxymethyl)oxolane-2,4-dione
CID 131848654
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyloxolane-2,4-dione?
The IUPAC name of (5R)-5-methyloxolane-2,4-dione (CID 130687098) is (5R)-5-methyloxolane-2,4-dione.
What is the SMILES notation for (5R)-5-methyloxolane-2,4-dione?
The canonical SMILES for (5R)-5-methyloxolane-2,4-dione is C[C@H]1OC(=O)CC1=O.
What is the InChIKey of (5R)-5-methyloxolane-2,4-dione?
The InChIKey is ZIQFRNVCLDSOAB-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (5R)-5-methyloxolane-2,4-dione?
(5R)-5-methyloxolane-2,4-dione has a molecular weight of 114.10 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyloxolane-2,4-dione is sourced from PubChem (CID 130687098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).