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
-2.5748 0.3049 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2852 -0.0172 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1936 -0.6890 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 -0.7515 -1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8486 -0.1268 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0923 0.2796 0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2931 0.0261 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8410 0.6339 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3110 0.6208 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9433 -0.5548 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4045 1.1315 1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0218 -1.0637 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6170 -1.2067 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9417 -0.3647 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9117 0.7387 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2113 1.0388 1.6297 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