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
2.5070 -0.8977 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2604 -0.0840 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 1.2737 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1481 1.5789 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8131 0.3575 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0688 -0.6156 -0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 0.2004 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 -1.0128 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 -0.2756 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6055 -1.6416 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4041 -1.4840 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 1.9991 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5927 2.5606 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8651 1.0619 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1113 -1.8504 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8695 -1.1705 0.1454 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