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
2.8676 0.3919 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4099 0.0663 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8878 -1.2017 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.0460 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7158 0.3001 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4286 0.9135 -0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0004 0.9494 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0919 0.2240 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9872 1.2934 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1946 0.6819 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4668 -0.4222 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4401 -2.1346 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2051 -1.8402 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 2.0081 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0726 0.6680 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0597 -0.8519 -0.0671 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