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
2.8685 -0.5268 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4260 -0.1829 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9582 1.0121 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 0.9680 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7477 -0.2611 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -0.8986 0.4381 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 -0.7501 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1314 0.0045 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2240 -1.0383 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4077 0.4004 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 -1.2176 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 1.8480 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 1.7644 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 -1.7318 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0403 0.9922 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1191 -0.3824 0.2611 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