5-ethyl-2,5-dimethoxy-2H-furan

C8H14O3 — CID 12937295

IUPAC5-ethyl-2,5-dimethoxy-2H-furan
SMILESCCC1(OC)C=CC(OC)O1
InChIInChI=1S/C8H14O3/c1-4-8(10-3)6-5-7(9-2)11-8/h5-7H,4H2,1-3H3
InChIKeyIAFCIPIBKATVRC-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds3

About 5-ethyl-2,5-dimethoxy-2H-furan

5-ethyl-2,5-dimethoxy-2H-furan (PubChem CID 12937295) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethoxy-2H-furan.

Molecular Properties

Compound Name5-ethyl-2,5-dimethoxy-2H-furan
PubChem CID12937295
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-ethyl-2,5-dimethoxy-2H-furan
SMILESCCC1(OC)C=CC(OC)O1
InChIInChI=1S/C8H14O3/c1-4-8(10-3)6-5-7(9-2)11-8/h5-7H,4H2,1-3H3
InChIKeyIAFCIPIBKATVRC-UHFFFAOYSA-N
XLogP1.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-ethyl-2,5-dimethoxy-2H-furan?
The IUPAC name of 5-ethyl-2,5-dimethoxy-2H-furan (CID 12937295) is 5-ethyl-2,5-dimethoxy-2H-furan.
What is the SMILES notation for 5-ethyl-2,5-dimethoxy-2H-furan?
The canonical SMILES for 5-ethyl-2,5-dimethoxy-2H-furan is CCC1(OC)C=CC(OC)O1.
What is the InChIKey of 5-ethyl-2,5-dimethoxy-2H-furan?
The InChIKey is IAFCIPIBKATVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-8(10-3)6-5-7(9-2)11-8/h5-7H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethoxy-2H-furan?
5-ethyl-2,5-dimethoxy-2H-furan has a molecular weight of 158.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethoxy-2H-furan is sourced from PubChem (CID 12937295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).