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
2.5855 0.8162 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2907 0.0832 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 -1.2547 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1858 -1.4993 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8391 -0.3083 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0847 0.5899 -0.0502 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2884 -0.1479 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8048 1.0411 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4195 0.2334 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 0.9886 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 1.7754 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9554 -1.9989 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 -2.4667 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9454 -0.9747 0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2125 1.9253 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8817 1.1974 -0.0695 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