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
-2.4932 -0.9738 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 -0.1306 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1860 1.2135 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1361 1.5441 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7967 0.3817 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0740 -0.5782 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2530 0.2325 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7720 -0.9399 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9669 -0.8869 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2331 -2.0126 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1743 -0.5264 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0129 1.8814 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5630 2.5284 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8948 1.0916 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -1.0123 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1459 -1.8123 -0.5940 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