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
-2.6917 0.4842 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 -0.0771 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9653 -1.3672 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 -1.4401 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8693 -0.1969 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 0.5559 -0.1544 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2996 0.1467 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6705 1.3633 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1744 0.1305 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2396 0.1597 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6605 1.5906 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7029 -2.1265 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9427 -2.3468 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0683 -0.5915 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7101 1.5990 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9295 2.1161 -0.6082 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