3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one

C8H12O4 — CID 18721087

IUPAC3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one
SMILESCOCC1OC=CC(=O)C1OC
InChIInChI=1S/C8H12O4/c1-10-5-7-8(11-2)6(9)3-4-12-7/h3-4,7-8H,5H2,1-2H3
InChIKeyAIOOQCFKQVQKOU-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.13
Rot. Bonds3

About 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one

3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one (PubChem CID 18721087) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one
PubChem CID18721087
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one
SMILESCOCC1OC=CC(=O)C1OC
InChIInChI=1S/C8H12O4/c1-10-5-7-8(11-2)6(9)3-4-12-7/h3-4,7-8H,5H2,1-2H3
InChIKeyAIOOQCFKQVQKOU-UHFFFAOYSA-N
XLogP0.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-Hydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-pyran-4-one
CID 11126388
2,2-dimethyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
CID 328442
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 13070166
[(2R,3S)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 14308130
(2S,3S)-3-methoxy-2-methyl-2,3-dihydropyran-4-one
CID 131066305
(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2,3-dihydropyran-4-one
CID 335650
1,5-anhydro-3-oxo-4-O-acetyl-2,3,6-trideoxy-L-threo-hex-1-enitol
CID 10352110
[(2S,3S)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 11041132
(4aR,8aR)-2,2-dimethyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-one
CID 11435345
n-butyl 3,4-dihydro-4-oxo-2H-pyran-2-carboxylate
CID 13551501
Ethyl 4-oxo-3,4-dihydro-2H-pyran-2-carboxylate
CID 22495097

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one (CID 18721087) is 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one is COCC1OC=CC(=O)C1OC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one?
The InChIKey is AIOOQCFKQVQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-10-5-7-8(11-2)6(9)3-4-12-7/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one?
3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one has a molecular weight of 172.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 18721087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).