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
-2.7717 -0.3797 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3755 -0.1689 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0851 0.1375 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2803 0.2562 -0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 0.0162 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2588 -0.2265 1.2508 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1689 0.0308 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1163 0.2896 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1526 0.4999 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4619 -0.5806 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8061 -1.2624 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7745 0.2669 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8844 0.4905 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4764 -0.1682 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1722 0.3088 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8202 0.4899 -1.0221 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