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

C7H10O3 — CID 10953614

IUPAC(2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one
SMILESCO[C@@H]1O[C@@H](C)C=CC1=O
InChIInChI=1S/C7H10O3/c1-5-3-4-6(8)7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m0/s1
InChIKeyWKTCVJIDCVAALD-CAHLUQPWSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

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

(2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one (PubChem CID 10953614) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one
PubChem CID10953614
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one
SMILESCO[C@@H]1O[C@@H](C)C=CC1=O
InChIInChI=1S/C7H10O3/c1-5-3-4-6(8)7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m0/s1
InChIKeyWKTCVJIDCVAALD-CAHLUQPWSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one?
The IUPAC name of (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one (CID 10953614) is (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one is CO[C@@H]1O[C@@H](C)C=CC1=O.
What is the InChIKey of (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one?
The InChIKey is WKTCVJIDCVAALD-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-3-4-6(8)7(9-2)10-5/h3-5,7H,1-2H3/t5-,7+/m0/s1.
What are the key properties of (2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one?
(2S,6R)-6-methoxy-2-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)-6-methoxy-2-methyl-2H-pyran-5-one is sourced from PubChem (CID 10953614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).