(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one

C7H10O3 — CID 131066305

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

About (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one

(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one (PubChem CID 131066305) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one
PubChem CID131066305
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one
SMILESCO[C@@H]1C(=O)C=CO[C@H]1C
InChIInChI=1S/C7H10O3/c1-5-7(9-2)6(8)3-4-10-5/h3-5,7H,1-2H3/t5-,7-/m0/s1
InChIKeyXTZTWZQWBFSVJO-FSPLSTOPSA-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,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one (CID 131066305) is (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one is CO[C@@H]1C(=O)C=CO[C@H]1C.
What is the InChIKey of (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one?
The InChIKey is XTZTWZQWBFSVJO-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-7(9-2)6(8)3-4-10-5/h3-5,7H,1-2H3/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one?
(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-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,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 131066305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).