1-(5-formylfuran-2-yl)propyl acetate

C10H12O4 — CID 154665569

IUPAC1-(5-formylfuran-2-yl)propyl acetate
SMILESCCC(OC(C)=O)c1ccc(C=O)o1
InChIInChI=1S/C10H12O4/c1-3-9(13-7(2)12)10-5-4-8(6-11)14-10/h4-6,9H,3H2,1-2H3
InChIKeyTUECCRCUAHHNHB-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.11
Rot. Bonds4

About 1-(5-formylfuran-2-yl)propyl acetate

1-(5-formylfuran-2-yl)propyl acetate (PubChem CID 154665569) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(5-formylfuran-2-yl)propyl acetate.

Molecular Properties

Compound Name1-(5-formylfuran-2-yl)propyl acetate
PubChem CID154665569
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(5-formylfuran-2-yl)propyl acetate
SMILESCCC(OC(C)=O)c1ccc(C=O)o1
InChIInChI=1S/C10H12O4/c1-3-9(13-7(2)12)10-5-4-8(6-11)14-10/h4-6,9H,3H2,1-2H3
InChIKeyTUECCRCUAHHNHB-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-formylfuran-2-yl)propyl acetate?
The IUPAC name of 1-(5-formylfuran-2-yl)propyl acetate (CID 154665569) is 1-(5-formylfuran-2-yl)propyl acetate.
What is the SMILES notation for 1-(5-formylfuran-2-yl)propyl acetate?
The canonical SMILES for 1-(5-formylfuran-2-yl)propyl acetate is CCC(OC(C)=O)c1ccc(C=O)o1.
What is the InChIKey of 1-(5-formylfuran-2-yl)propyl acetate?
The InChIKey is TUECCRCUAHHNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-9(13-7(2)12)10-5-4-8(6-11)14-10/h4-6,9H,3H2,1-2H3.
What are the key properties of 1-(5-formylfuran-2-yl)propyl acetate?
1-(5-formylfuran-2-yl)propyl acetate has a molecular weight of 196.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formylfuran-2-yl)propyl acetate is sourced from PubChem (CID 154665569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).