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
-2.8457 0.3897 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4281 0.0748 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9563 -0.9097 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 -0.8252 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 0.1857 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 0.6991 0.5841 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0316 0.6619 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 0.1120 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3208 -0.3857 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4495 0.4787 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9568 1.3457 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 -1.6197 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1512 -1.4279 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 1.4746 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1252 -0.7075 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1041 0.4535 0.5008 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