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
2.8674 0.4615 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4210 0.0392 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 -1.2284 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4579 -1.0986 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 0.2513 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4268 0.8727 0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0182 0.9314 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1250 0.2371 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 0.9491 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1110 1.1368 -0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4862 -0.4519 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 -2.1274 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 -1.8649 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0647 1.9973 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1012 -0.8386 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0792 0.7335 -0.0282 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