2-Ethylfuran

CAS: 3208-16-0 | C6H8O

2D Structure

Loading 3D structure...

CAS Registry Number

3208-16-0

SMILES

CCc1ccco1

InChI Key

HLPIHRDZBHXTFJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	96.13 g/mol	CAS Common Chemistry
	96.12899999999998 g/mol	RDKit
	96.129 g/mol	RDKit
Density	0.91 g/cm³	CAS Common Chemistry
	0.912 g/cm3 @ 13 °C	CAS Common Chemistry
Boiling Point	92 °C	CAS Common Chemistry
Canonical SMILES	O1C=CC=C1CC	CAS Common Chemistry
InChI	InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=HLPIHRDZBHXTFJ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	140 °C @ Solvent: Ethanol	CAS Common Chemistry
Name	2-Ethylfuran	CAS Common Chemistry
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	13.14 Å²	RDKit
LogP	1.842	RDKit
Molar Refractivity	28.08599999999999 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.3333	RDKit
Exact Mass	96.057514876 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C6H8O.