2,5-diethoxy-5-methyl-2H-furan

C9H16O3 — CID 14408252

IUPAC2,5-diethoxy-5-methyl-2H-furan
SMILESCCOC1C=CC(C)(OCC)O1
InChIInChI=1S/C9H16O3/c1-4-10-8-6-7-9(3,12-8)11-5-2/h6-8H,4-5H2,1-3H3
InChIKeyAKTDQWIHFJDMCX-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.69
Rot. Bonds4

About 2,5-diethoxy-5-methyl-2H-furan

2,5-diethoxy-5-methyl-2H-furan (PubChem CID 14408252) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,5-diethoxy-5-methyl-2H-furan.

Molecular Properties

Compound Name2,5-diethoxy-5-methyl-2H-furan
PubChem CID14408252
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,5-diethoxy-5-methyl-2H-furan
SMILESCCOC1C=CC(C)(OCC)O1
InChIInChI=1S/C9H16O3/c1-4-10-8-6-7-9(3,12-8)11-5-2/h6-8H,4-5H2,1-3H3
InChIKeyAKTDQWIHFJDMCX-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.69
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 2,5-diethoxy-5-methyl-2H-furan?
The IUPAC name of 2,5-diethoxy-5-methyl-2H-furan (CID 14408252) is 2,5-diethoxy-5-methyl-2H-furan.
What is the SMILES notation for 2,5-diethoxy-5-methyl-2H-furan?
The canonical SMILES for 2,5-diethoxy-5-methyl-2H-furan is CCOC1C=CC(C)(OCC)O1.
What is the InChIKey of 2,5-diethoxy-5-methyl-2H-furan?
The InChIKey is AKTDQWIHFJDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-10-8-6-7-9(3,12-8)11-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,5-diethoxy-5-methyl-2H-furan?
2,5-diethoxy-5-methyl-2H-furan has a molecular weight of 172.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-5-methyl-2H-furan is sourced from PubChem (CID 14408252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).