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
2.9113 0.1929 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 0.0921 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8091 0.0477 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 -0.0424 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 -0.0509 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 0.0314 0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9962 -0.1359 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1067 -0.2126 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 0.5948 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.9045 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4009 -0.7787 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3108 0.0792 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -0.0972 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -0.1334 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0902 -0.2142 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0818 -0.2773 0.8327 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