2,5-dimethoxy-5-(methoxymethyl)-2H-furan

C8H14O4 — CID 19900861

IUPAC2,5-dimethoxy-5-(methoxymethyl)-2H-furan
SMILESCOCC1(OC)C=CC(OC)O1
InChIInChI=1S/C8H14O4/c1-9-6-8(11-3)5-4-7(10-2)12-8/h4-5,7H,6H2,1-3H3
InChIKeyQTRLNSXNZJPQAR-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.53
Rot. Bonds4

About 2,5-dimethoxy-5-(methoxymethyl)-2H-furan

2,5-dimethoxy-5-(methoxymethyl)-2H-furan (PubChem CID 19900861) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,5-dimethoxy-5-(methoxymethyl)-2H-furan.

Molecular Properties

Compound Name2,5-dimethoxy-5-(methoxymethyl)-2H-furan
PubChem CID19900861
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,5-dimethoxy-5-(methoxymethyl)-2H-furan
SMILESCOCC1(OC)C=CC(OC)O1
InChIInChI=1S/C8H14O4/c1-9-6-8(11-3)5-4-7(10-2)12-8/h4-5,7H,6H2,1-3H3
InChIKeyQTRLNSXNZJPQAR-UHFFFAOYSA-N
XLogP0.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,5-dimethoxy-5-(methoxymethyl)-2H-furan?
The IUPAC name of 2,5-dimethoxy-5-(methoxymethyl)-2H-furan (CID 19900861) is 2,5-dimethoxy-5-(methoxymethyl)-2H-furan.
What is the SMILES notation for 2,5-dimethoxy-5-(methoxymethyl)-2H-furan?
The canonical SMILES for 2,5-dimethoxy-5-(methoxymethyl)-2H-furan is COCC1(OC)C=CC(OC)O1.
What is the InChIKey of 2,5-dimethoxy-5-(methoxymethyl)-2H-furan?
The InChIKey is QTRLNSXNZJPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-9-6-8(11-3)5-4-7(10-2)12-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 2,5-dimethoxy-5-(methoxymethyl)-2H-furan?
2,5-dimethoxy-5-(methoxymethyl)-2H-furan has a molecular weight of 174.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-5-(methoxymethyl)-2H-furan is sourced from PubChem (CID 19900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).