Monomers
2-Ethenyl-5-methylfuran
Identifiers
IUPAC name
2-ethenyl-5-methylfuran
InchI
InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InchI Key
LTQOQNQWJBSGPF-UHFFFAOYSA-N
SMILES
Cc1ccc(o1)C=C
Canonical SMILES
CC1=CC=C(O1)C=C
Isomeric SMILES
CC1=CC=C(O1)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8O
Heavy Atom Count
8
Molecular Weight
108.14
Exact Molecular Weight
108.0575
Valence Electrons
42
Radical Electrons
0
tPSA
13.14
MolLogP
2.231
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-2.4831 0.7894 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2458 0.0346 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1676 -1.2895 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1402 -1.5315 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 -0.3532 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 0.5308 0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 -0.0874 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7011 1.1167 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2950 0.0935 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 1.5450 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2041 1.3120 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9828 -2.0012 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -2.4578 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8563 -0.9226 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7446 1.3251 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0402 1.8959 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 2 3
6 2 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
4 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers