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

C7H10O3 — CID 3082380

IUPAC(2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one
SMILESCO[C@@H]1C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C7H10O3/c1-5-6(8)3-4-7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m1/s1
InChIKeyCSEDVMRKXMDBAK-VDTYLAMSSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

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

(2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one (PubChem CID 3082380) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one
PubChem CID3082380
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one
SMILESCO[C@@H]1C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C7H10O3/c1-5-6(8)3-4-7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m1/s1
InChIKeyCSEDVMRKXMDBAK-VDTYLAMSSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
4-bromo-2-methoxy-6-methyl-2H-pyran-5-one
CID 325122
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
4-chloro-6-methoxy-2-methyl-2H-pyran-3(6H)-one
CID 325121
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
6-Acetoxy-2H-pyran-3(6H)-one
CID 11116290
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
4-Oxo-5-methoxy-2-penten-5-olide
CID 86145415
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
(2R,4aR,9aS)-2-methyl-4a,9a-dihydro-4H-[1,3]dioxino[5,4-b]oxepin-7-one
CID 16071457

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one (CID 3082380) is (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one is CO[C@@H]1C=CC(=O)[C@@H](C)O1.
What is the InChIKey of (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one?
The InChIKey is CSEDVMRKXMDBAK-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-6(8)3-4-7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m1/s1.
What are the key properties of (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one?
(2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methoxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 3082380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).