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
-2.8821 0.1042 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 -0.0800 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8548 -0.8884 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4973 -0.6827 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 0.2461 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4925 0.5758 0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9872 0.7588 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1041 0.3375 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1754 1.0839 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9659 0.2019 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4995 -0.7349 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3785 -1.5447 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 -1.1884 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 1.4910 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0646 0.7139 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 -0.3942 -0.7119 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