5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde

C9H12O3 — CID 141490883

IUPAC5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde
SMILESCC(C)OC=C1C=CC(C=O)O1
InChIInChI=1S/C9H12O3/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-8H,1-2H3
InChIKeyYFEWCTONHULTPF-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.41
Rot. Bonds3

About 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde

5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde (PubChem CID 141490883) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde
PubChem CID141490883
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde
SMILESCC(C)OC=C1C=CC(C=O)O1
InChIInChI=1S/C9H12O3/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-8H,1-2H3
InChIKeyYFEWCTONHULTPF-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde?
The IUPAC name of 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde (CID 141490883) is 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde.
What is the SMILES notation for 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde?
The canonical SMILES for 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde is CC(C)OC=C1C=CC(C=O)O1.
What is the InChIKey of 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde?
The InChIKey is YFEWCTONHULTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-8H,1-2H3.
What are the key properties of 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde?
5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde has a molecular weight of 168.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethylidene)-2H-furan-2-carbaldehyde is sourced from PubChem (CID 141490883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).