5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde

C11H16O3 — CID 79116560

IUPAC5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde
SMILESCC(C)CC(C)Oc1ccc(C=O)o1
InChIInChI=1S/C11H16O3/c1-8(2)6-9(3)13-11-5-4-10(7-12)14-11/h4-5,7-9H,6H2,1-3H3
InChIKeyHJPJHORSVKPXAQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.91
Rot. Bonds5

About 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde

5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde (PubChem CID 79116560) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde
PubChem CID79116560
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde
SMILESCC(C)CC(C)Oc1ccc(C=O)o1
InChIInChI=1S/C11H16O3/c1-8(2)6-9(3)13-11-5-4-10(7-12)14-11/h4-5,7-9H,6H2,1-3H3
InChIKeyHJPJHORSVKPXAQ-UHFFFAOYSA-N
XLogP2.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde?
The IUPAC name of 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde (CID 79116560) is 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde is CC(C)CC(C)Oc1ccc(C=O)o1.
What is the InChIKey of 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde?
The InChIKey is HJPJHORSVKPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)6-9(3)13-11-5-4-10(7-12)14-11/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde?
5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde is sourced from PubChem (CID 79116560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).