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
2.8807 0.2839 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 0.0791 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8531 -0.8011 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5177 -0.7260 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7220 0.2080 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 0.6543 0.8391 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9998 0.6287 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1027 0.1116 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3311 -0.4027 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4124 0.1794 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 1.3220 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -1.4258 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2933 -1.2677 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0514 1.3581 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0660 0.4344 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 -0.6361 -0.3242 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