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'}

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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).