(5-propylfuran-2-yl) formate

C8H10O3 — CID 130346190

IUPAC(5-propylfuran-2-yl) formate
SMILESCCCc1ccc(OC=O)o1
InChIInChI=1S/C8H10O3/c1-2-3-7-4-5-8(11-7)10-6-9/h4-6H,2-3H2,1H3
InChIKeyBJSSZXBLKUIJKX-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.77
Rot. Bonds4

About (5-propylfuran-2-yl) formate

(5-propylfuran-2-yl) formate (PubChem CID 130346190) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (5-propylfuran-2-yl) formate.

Molecular Properties

Compound Name(5-propylfuran-2-yl) formate
PubChem CID130346190
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(5-propylfuran-2-yl) formate
SMILESCCCc1ccc(OC=O)o1
InChIInChI=1S/C8H10O3/c1-2-3-7-4-5-8(11-7)10-6-9/h4-6H,2-3H2,1H3
InChIKeyBJSSZXBLKUIJKX-UHFFFAOYSA-N
XLogP1.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.77
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-propylfuran-2-yl) formate?
The IUPAC name of (5-propylfuran-2-yl) formate (CID 130346190) is (5-propylfuran-2-yl) formate.
What is the SMILES notation for (5-propylfuran-2-yl) formate?
The canonical SMILES for (5-propylfuran-2-yl) formate is CCCc1ccc(OC=O)o1.
What is the InChIKey of (5-propylfuran-2-yl) formate?
The InChIKey is BJSSZXBLKUIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-4-5-8(11-7)10-6-9/h4-6H,2-3H2,1H3.
What are the key properties of (5-propylfuran-2-yl) formate?
(5-propylfuran-2-yl) formate has a molecular weight of 154.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propylfuran-2-yl) formate is sourced from PubChem (CID 130346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).