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
-2.4788 -0.9172 1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 -0.4646 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0918 -0.4929 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -0.0008 -1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7076 0.3011 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1632 0.0102 1.0157 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0228 0.8519 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 1.1102 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8795 -1.8268 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -1.2606 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 -0.1163 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7700 -0.8179 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.1462 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3199 1.0392 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5211 0.9212 -1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7977 1.5171 -0.4556 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