(6R)-6-methyloxane-2,4-dione

C6H8O3 — CID 11804775

IUPAC(6R)-6-methyloxane-2,4-dione
SMILESC[C@@H]1CC(=O)CC(=O)O1
InChIInChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyUUVIHKCBKAOTEW-SCSAIBSYSA-N
MW128.13 g/mol
LogP0.28
Rot. Bonds

About (6R)-6-methyloxane-2,4-dione

(6R)-6-methyloxane-2,4-dione (PubChem CID 11804775) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (6R)-6-methyloxane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-methyloxane-2,4-dione
PubChem CID11804775
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(6R)-6-methyloxane-2,4-dione
SMILESC[C@@H]1CC(=O)CC(=O)O1
InChIInChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyUUVIHKCBKAOTEW-SCSAIBSYSA-N
XLogP0.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.28
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

4-methyloxetan-2-one;oxetan-2-one
CID 22715627
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
CID 163149872
(2R)-4,6-dioxooxane-2-carboxylic acid
CID 124707644
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
(5S)-5-methyloxolane-2,4-dione
CID 67483929
(5R)-5-methyloxolane-2,4-dione
CID 130687098
5-trimethylsilylcyclohexane-1,3-dione
CID 71393140
5-methyloxolan-2-one
CID 69397003
6-methyloxan-2-one
CID 160564586
5,6-dimethyloxane-2,4-dione
CID 22962073
4-tert-butyl-6-methyloxan-2-one
CID 23598675

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyloxane-2,4-dione?
The IUPAC name of (6R)-6-methyloxane-2,4-dione (CID 11804775) is (6R)-6-methyloxane-2,4-dione.
What is the SMILES notation for (6R)-6-methyloxane-2,4-dione?
The canonical SMILES for (6R)-6-methyloxane-2,4-dione is C[C@@H]1CC(=O)CC(=O)O1.
What is the InChIKey of (6R)-6-methyloxane-2,4-dione?
The InChIKey is UUVIHKCBKAOTEW-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-2-5(7)3-6(8)9-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (6R)-6-methyloxane-2,4-dione?
(6R)-6-methyloxane-2,4-dione has a molecular weight of 128.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyloxane-2,4-dione is sourced from PubChem (CID 11804775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).