methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate

C8H12O5 — CID 19354459

IUPACmethyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
SMILESCOOC(=O)C1(C)C=CC(OC)O1
InChIInChI=1S/C8H12O5/c1-8(7(9)13-11-3)5-4-6(10-2)12-8/h4-6H,1-3H3
InChIKeyBGTKATMZEXTOOB-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.41
Rot. Bonds3

About methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate

methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate (PubChem CID 19354459) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
PubChem CID19354459
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
SMILESCOOC(=O)C1(C)C=CC(OC)O1
InChIInChI=1S/C8H12O5/c1-8(7(9)13-11-3)5-4-6(10-2)12-8/h4-6H,1-3H3
InChIKeyBGTKATMZEXTOOB-UHFFFAOYSA-N
XLogP0.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
2,5-dimethoxy-5-(methoxymethyl)-2H-furan
CID 19900861
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
CID 99988421
2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
CID 158431138
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668
methyl (1R,3R,6S,7S,8S,10R)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-ene-7-carboxylate
CID 44596940

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate?
The IUPAC name of methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate (CID 19354459) is methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate.
What is the SMILES notation for methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate?
The canonical SMILES for methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate is COOC(=O)C1(C)C=CC(OC)O1.
What is the InChIKey of methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate?
The InChIKey is BGTKATMZEXTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-8(7(9)13-11-3)5-4-6(10-2)12-8/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate?
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate has a molecular weight of 188.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate is sourced from PubChem (CID 19354459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).