3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one

C8H12O4 — CID 11805203

IUPAC3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one
SMILESCOCOC1=C(C)C(=O)OC1C
InChIInChI=1S/C8H12O4/c1-5-7(11-4-10-3)6(2)12-8(5)9/h6H,4H2,1-3H3
InChIKeyDAUBFLVSADEXRJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.83
Rot. Bonds3

About 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one

3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one (PubChem CID 11805203) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one
PubChem CID11805203
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one
SMILESCOCOC1=C(C)C(=O)OC1C
InChIInChI=1S/C8H12O4/c1-5-7(11-4-10-3)6(2)12-8(5)9/h6H,4H2,1-3H3
InChIKeyDAUBFLVSADEXRJ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyethyl 2-butoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 154718717
[4-Methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate
CID 132937785
2(5H)-Furanone, 4-(acetyloxy)-3,5-dimethyl-
CID 536096
Gnuuicijabtudl-uhfffaoysa-
CID 21608333
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(methoxymethoxy)-4-methyl-2H-furan-5-one
CID 25009453
1-(5-Methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate
CID 57137547
(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one
CID 58831740
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (E)-2,3,4-trimethylpent-2-enoate
CID 58874364
(2-Oxo-5-propan-2-yl-1,3-dioxol-4-yl)methyl acetate
CID 60093099
(5-Tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
CID 60093127
(5-Ethyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
CID 60093185
methyl (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-2-enoate
CID 68638764

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one (CID 11805203) is 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one is COCOC1=C(C)C(=O)OC1C.
What is the InChIKey of 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one?
The InChIKey is DAUBFLVSADEXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5-7(11-4-10-3)6(2)12-8(5)9/h6H,4H2,1-3H3.
What are the key properties of 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one?
3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one has a molecular weight of 172.18 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 11805203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).