3,4,5-triethylfuran-2-carbaldehyde

C11H16O2 — CID 141170126

IUPAC3,4,5-triethylfuran-2-carbaldehyde
SMILESCCc1oc(C=O)c(CC)c1CC
InChIInChI=1S/C11H16O2/c1-4-8-9(5-2)11(7-12)13-10(8)6-3/h7H,4-6H2,1-3H3
InChIKeyLOPAUQJQSDZTTD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.78
Rot. Bonds4

About 3,4,5-triethylfuran-2-carbaldehyde

3,4,5-triethylfuran-2-carbaldehyde (PubChem CID 141170126) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,4,5-triethylfuran-2-carbaldehyde.

Molecular Properties

Compound Name3,4,5-triethylfuran-2-carbaldehyde
PubChem CID141170126
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3,4,5-triethylfuran-2-carbaldehyde
SMILESCCc1oc(C=O)c(CC)c1CC
InChIInChI=1S/C11H16O2/c1-4-8-9(5-2)11(7-12)13-10(8)6-3/h7H,4-6H2,1-3H3
InChIKeyLOPAUQJQSDZTTD-UHFFFAOYSA-N
XLogP2.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethylfuran-2-carbaldehyde?
The IUPAC name of 3,4,5-triethylfuran-2-carbaldehyde (CID 141170126) is 3,4,5-triethylfuran-2-carbaldehyde.
What is the SMILES notation for 3,4,5-triethylfuran-2-carbaldehyde?
The canonical SMILES for 3,4,5-triethylfuran-2-carbaldehyde is CCc1oc(C=O)c(CC)c1CC.
What is the InChIKey of 3,4,5-triethylfuran-2-carbaldehyde?
The InChIKey is LOPAUQJQSDZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-8-9(5-2)11(7-12)13-10(8)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 3,4,5-triethylfuran-2-carbaldehyde?
3,4,5-triethylfuran-2-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethylfuran-2-carbaldehyde is sourced from PubChem (CID 141170126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).