(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one

C7H10O3 — CID 10796850

IUPAC(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](C)C1
InChIInChI=1S/C7H10O3/c1-5-3-6(9-2)4-7(8)10-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyTWJYJKOEWGZNIB-YFKPBYRVSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one

(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one (PubChem CID 10796850) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one
PubChem CID10796850
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@@H](C)C1
InChIInChI=1S/C7H10O3/c1-5-3-6(9-2)4-7(8)10-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyTWJYJKOEWGZNIB-YFKPBYRVSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5,6-Dihydro-4-methoxy-6-methyl-2H-pyran-2-one
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CID 24869
5,6-Dihydro-4-methoxy-2H-pyran-2-one
CID 15086343
Kava
CID 5281052
6-ethyl-5,6-dihydro-2H-pyran-2-one
CID 12213801
4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 54680536
2H-Pyran-2-one, 4-methoxy-6-propyl-
CID 11286684
4-(2-Ethoxyethyl)-6-methylpyran-2-one
CID 44344469
(2S)-2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
CID 57417017
Pestalotiopyrone F
CID 52920588
[(2S,3R)-3-(4-methoxy-6-oxopyran-2-yl)butan-2-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one (CID 10796850) is (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@@H](C)C1.
What is the InChIKey of (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is TWJYJKOEWGZNIB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-3-6(9-2)4-7(8)10-5/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one?
(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 10796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).