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
-2.8027 0.6585 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 0.2470 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0590 -0.5532 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3252 -0.6804 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7484 0.0666 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3042 0.5935 -0.7764 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1223 0.2354 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1176 -0.3420 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7256 1.5644 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3523 0.9150 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2951 -0.1186 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -1.0101 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9518 -1.2423 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3381 0.8366 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8955 -0.9499 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1381 -0.2205 -0.3231 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