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
2.5451 0.8092 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2808 0.0162 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0767 -1.2917 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2720 -1.5196 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8540 -0.3410 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 0.5366 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -0.1095 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6558 1.0688 0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 1.8832 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8899 0.8176 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2962 0.3914 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 -1.9996 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7723 -2.4603 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9499 -0.9216 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9615 1.8737 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6894 1.2467 0.9003 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