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
-2.5016 -0.3909 0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2621 0.1761 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0633 1.3737 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2553 1.4134 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 0.2053 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 -0.5115 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 -0.2136 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 -1.3832 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3280 -0.6255 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3585 0.2736 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7297 -1.3698 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 2.1385 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 2.2036 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 0.4393 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -1.6910 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9260 -2.0380 0.3755 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