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
-2.7650 -0.8167 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 -0.2841 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0362 0.8869 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3263 0.9792 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7508 -0.1418 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 -0.8633 -0.5851 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 -0.4920 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0821 0.3270 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5313 -0.0382 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9381 -1.2484 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8877 -1.6108 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 1.6008 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 1.7861 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3352 -1.3973 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 1.2426 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0938 0.0698 -0.5603 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