2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane

C9H14O5 — CID 12770203

IUPAC2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane
SMILESCOC1C=CC(OC)(C2OCCO2)O1
InChIInChI=1S/C9H14O5/c1-10-7-3-4-9(11-2,14-7)8-12-5-6-13-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMPKLCMBXEHTGGT-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.26
Rot. Bonds3

About 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane

2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane (PubChem CID 12770203) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane
PubChem CID12770203
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane
SMILESCOC1C=CC(OC)(C2OCCO2)O1
InChIInChI=1S/C9H14O5/c1-10-7-3-4-9(11-2,14-7)8-12-5-6-13-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMPKLCMBXEHTGGT-UHFFFAOYSA-N
XLogP0.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane 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
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
(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
1,4,9,12-Tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene
CID 319563
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
2-Ethyl-2,5-dimethoxy-2,5-dihydrofuran
CID 12937295
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
2,5-diethoxy-2-methyl-5H-furan
CID 14408252
2,7-Dioxabicyclo[2.2.1]hept-5-ene
CID 14474501
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane?
The IUPAC name of 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane (CID 12770203) is 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane?
The canonical SMILES for 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane is COC1C=CC(OC)(C2OCCO2)O1.
What is the InChIKey of 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane?
The InChIKey is MPKLCMBXEHTGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-10-7-3-4-9(11-2,14-7)8-12-5-6-13-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane?
2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane has a molecular weight of 202.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-2H-furan-5-yl)-1,3-dioxolane is sourced from PubChem (CID 12770203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).