2,4-dimethoxy-4H-1,3-dioxine

C6H10O4 — CID 141230535

IUPAC2,4-dimethoxy-4H-1,3-dioxine
SMILESCOC1C=COC(OC)O1
InChIInChI=1S/C6H10O4/c1-7-5-3-4-9-6(8-2)10-5/h3-6H,1-2H3
InChIKeyFPWRASUKCNNOSR-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.45
Rot. Bonds2

About 2,4-dimethoxy-4H-1,3-dioxine

2,4-dimethoxy-4H-1,3-dioxine (PubChem CID 141230535) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,4-dimethoxy-4H-1,3-dioxine.

Molecular Properties

Compound Name2,4-dimethoxy-4H-1,3-dioxine
PubChem CID141230535
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,4-dimethoxy-4H-1,3-dioxine
SMILESCOC1C=COC(OC)O1
InChIInChI=1S/C6H10O4/c1-7-5-3-4-9-6(8-2)10-5/h3-6H,1-2H3
InChIKeyFPWRASUKCNNOSR-UHFFFAOYSA-N
XLogP0.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran
CID 125475617
(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880338
4-methoxy-2,3-dimethyl-3,4-dihydro-2H-pyran
CID 147708709
(2R,5R)-2-(benzenesulfonyl)-5-methoxy-2,5-dihydrofuran
CID 10728741
2-ethoxy-2H-oxete
CID 175705413
[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 102509216
2-methoxy-5-(4-methoxyphenyl)-2,5-dihydrofuran
CID 135056905
methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11745085
(2R,3R)-2-methoxy-3-phenyl-2,3-dihydrofuran
CID 101238409
2-propan-2-yl-3-[(2-propan-2-yl-2,3-dihydrofuran-3-yl)sulfanyl]-2,3-dihydrofuran
CID 22472262
[(5R)-5-methoxy-2,5-dihydrofuran-2-yl]methyl 4-methylbenzoate
CID 163794761
(3S,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14309521

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-4H-1,3-dioxine?
The IUPAC name of 2,4-dimethoxy-4H-1,3-dioxine (CID 141230535) is 2,4-dimethoxy-4H-1,3-dioxine.
What is the SMILES notation for 2,4-dimethoxy-4H-1,3-dioxine?
The canonical SMILES for 2,4-dimethoxy-4H-1,3-dioxine is COC1C=COC(OC)O1.
What is the InChIKey of 2,4-dimethoxy-4H-1,3-dioxine?
The InChIKey is FPWRASUKCNNOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-7-5-3-4-9-6(8-2)10-5/h3-6H,1-2H3.
What are the key properties of 2,4-dimethoxy-4H-1,3-dioxine?
2,4-dimethoxy-4H-1,3-dioxine has a molecular weight of 146.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-4H-1,3-dioxine is sourced from PubChem (CID 141230535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).