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
-2.4199 1.1291 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 0.2056 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2851 -1.1327 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0147 -1.5619 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7870 -0.4544 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0059 0.5733 0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2342 -0.4164 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8258 0.7146 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2148 2.1316 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2761 0.7102 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6031 1.2264 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1740 -1.7074 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -2.5517 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7987 -1.3100 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9152 0.8078 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2845 1.6358 0.5212 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