4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one

C8H12O3 — CID 10702056

IUPAC4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)OC(C)C1
InChIInChI=1S/C8H12O3/c1-5-4-7(10-3)6(2)8(9)11-5/h5H,4H2,1-3H3
InChIKeyIXZWBWCCRQYVLB-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds1

About 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one

4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one (PubChem CID 10702056) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one
PubChem CID10702056
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one
SMILESCOC1=C(C)C(=O)OC(C)C1
InChIInChI=1S/C8H12O3/c1-5-4-7(10-3)6(2)8(9)11-5/h5H,4H2,1-3H3
InChIKeyIXZWBWCCRQYVLB-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydro-4-methoxy-6-methyl-2H-pyran-2-one
CID 229844
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790
3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
CID 10920516
4-Hydroxy-3,6-dimethyl-5,6-dihydro-2-pyrone
CID 54696332
(2S)-4-methoxy-2-methyl-2,3-dihydropyran-6-one
CID 10796850
4-Acetoxy-3-allyl-6-methyl-5,6-dihydro-2-pyrone
CID 15470476
(2R)-4-methoxy-5-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
CID 16115685
2-Ethenyl-4-methoxy-2,3-dihydropyran-6-one
CID 25138610
(2S,3R)-4-methoxy-3-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
CID 102383319
(s)-4-Methoxy-7-methyl-7,8-dihydropyrano[4,3-b]pyran-2(5h)-one
CID 129844467
4-methoxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
CID 5358944
2,3,4-Trimethyl-2,5-dihydropyran-6-one
CID 10510941

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one (CID 10702056) is 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one is COC1=C(C)C(=O)OC(C)C1.
What is the InChIKey of 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is IXZWBWCCRQYVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-4-7(10-3)6(2)8(9)11-5/h5H,4H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one?
4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 10702056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).