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
2.7868 0.4891 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.1288 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0139 -1.0724 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3475 -0.9875 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7515 0.2720 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3199 0.8791 -0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1129 0.7853 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1194 0.0767 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 1.5590 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5085 -0.0882 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9259 0.3455 -1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6832 -1.8928 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9623 -1.7570 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 1.7722 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1289 0.4196 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8775 -0.9292 0.9171 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