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
-2.5532 0.7309 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2598 0.0594 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 -1.2598 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1991 -1.4998 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8520 -0.3117 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0625 0.5513 0.1595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.0748 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8027 1.1144 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5057 1.7923 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7510 0.6543 1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4012 0.2288 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 -1.9360 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5893 -2.4512 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 -0.8831 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8435 1.3580 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 1.9270 0.2618 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