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
-2.8653 -0.0432 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 0.0294 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 0.6907 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 0.5220 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7468 -0.2321 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 -0.4907 -0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0825 -0.6445 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1141 -0.2877 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1349 -1.0809 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4778 0.2541 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1233 0.6544 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 1.2264 1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 0.9308 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 -1.2391 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0111 0.3045 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0971 -0.5941 -0.2124 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