2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran

C10H18O5 — CID 12770202

IUPAC2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran
SMILESCOC(OC)C1(OC)C=CC(C)(OC)O1
InChIInChI=1S/C10H18O5/c1-9(13-4)6-7-10(14-5,15-9)8(11-2)12-3/h6-8H,1-5H3
InChIKeyWDDBVURGAVJXBZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.90
Rot. Bonds5

About 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran

2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran (PubChem CID 12770202) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran
PubChem CID12770202
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran
SMILESCOC(OC)C1(OC)C=CC(C)(OC)O1
InChIInChI=1S/C10H18O5/c1-9(13-4)6-7-10(14-5,15-9)8(11-2)12-3/h6-8H,1-5H3
InChIKeyWDDBVURGAVJXBZ-UHFFFAOYSA-N
XLogP0.90
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
2-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)-1,3-dioxolane
CID 12770203
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
2-Ethyl-2,5-dimethoxy-2,5-dihydrofuran
CID 12937295
2,5-diethoxy-2-methyl-5H-furan
CID 14408252
8,8-Dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 597496
2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane
CID 10512292
(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran
CID 11105629
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran?
The IUPAC name of 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran (CID 12770202) is 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran.
What is the SMILES notation for 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran?
The canonical SMILES for 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran is COC(OC)C1(OC)C=CC(C)(OC)O1.
What is the InChIKey of 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran?
The InChIKey is WDDBVURGAVJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(13-4)6-7-10(14-5,15-9)8(11-2)12-3/h6-8H,1-5H3.
What are the key properties of 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran?
2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran has a molecular weight of 218.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2,5-dimethoxy-5-methylfuran is sourced from PubChem (CID 12770202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).