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
2.5885 0.3963 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -0.0868 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0836 -1.2464 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2569 -1.2903 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 -0.1715 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1069 0.4909 -0.4157 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2748 0.1720 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7452 1.2502 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 1.4291 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5756 0.4444 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3938 -0.2449 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8526 -1.9639 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -2.0894 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9352 -0.4950 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7939 1.4799 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 1.9255 -0.8325 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