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
2.6399 0.3810 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2842 -0.0813 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0532 -1.2286 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3101 -1.2815 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8565 -0.1761 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1399 0.4888 0.3153 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2881 0.1655 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7049 1.2544 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0735 1.0208 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2406 -0.5026 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5427 0.9763 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7980 -1.9352 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 -2.0409 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9968 -0.4830 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7471 1.5268 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0111 1.9157 0.9344 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