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
2.4902 0.1513 -0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2142 -0.2435 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9884 -1.3802 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3132 -1.2901 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8178 -0.1118 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1370 0.4702 -0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1592 0.4070 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4865 1.5383 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1077 -0.7550 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 0.4705 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9639 0.9721 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 -2.1610 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 -1.9868 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8753 -0.1417 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8112 2.1411 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4897 1.9196 0.0603 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