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
-2.8754 -0.3922 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4197 -0.1189 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 1.1454 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4709 1.0244 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7203 -0.3363 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4235 -0.9341 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0547 -0.9172 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1233 -0.1751 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 0.4295 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -0.5232 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9836 -1.3688 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4832 2.0706 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 1.8153 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -2.0004 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1109 -0.6094 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9644 0.8903 -0.4852 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