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
-2.2486 1.0766 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0786 0.6692 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7933 1.1652 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 0.5456 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 -0.3223 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1420 -0.1957 0.5472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9145 -1.1859 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 -1.9703 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0427 0.8566 2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4529 2.1371 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 0.4089 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3594 1.9092 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 0.6688 -2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5517 -1.1735 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0377 -2.6257 0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5368 -1.9636 1.4107 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