(2R,6S)-2,6-dimethyl-2H-pyran-5-one

C7H10O2 — CID 10749188

IUPAC(2R,6S)-2,6-dimethyl-2H-pyran-5-one
SMILESC[C@@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)6(2)9-5/h3-6H,1-2H3/t5-,6+/m1/s1
InChIKeyZJTOOLLBLOGTDH-RITPCOANSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds

About (2R,6S)-2,6-dimethyl-2H-pyran-5-one

(2R,6S)-2,6-dimethyl-2H-pyran-5-one (PubChem CID 10749188) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-2H-pyran-5-one
PubChem CID10749188
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2R,6S)-2,6-dimethyl-2H-pyran-5-one
SMILESC[C@@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)6(2)9-5/h3-6H,1-2H3/t5-,6+/m1/s1
InChIKeyZJTOOLLBLOGTDH-RITPCOANSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-2H-pyran-5-one?
The IUPAC name of (2R,6S)-2,6-dimethyl-2H-pyran-5-one (CID 10749188) is (2R,6S)-2,6-dimethyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-2,6-dimethyl-2H-pyran-5-one is C[C@@H]1C=CC(=O)[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-2H-pyran-5-one?
The InChIKey is ZJTOOLLBLOGTDH-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-4-7(8)6(2)9-5/h3-6H,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-2H-pyran-5-one?
(2R,6S)-2,6-dimethyl-2H-pyran-5-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-2H-pyran-5-one is sourced from PubChem (CID 10749188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).