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
2.8238 0.4274 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 0.0668 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 -1.2182 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4348 -1.0547 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7141 0.3157 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4322 0.9060 -0.1969 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0165 0.9431 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1054 0.2325 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 1.4845 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0538 0.1911 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.2248 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4286 -2.1701 -0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 -1.7928 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0671 2.0197 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0167 -0.8362 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0517 0.7100 0.5299 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