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
-2.8470 0.4098 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 0.0212 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9185 -1.0842 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 -0.9687 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 0.2252 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.7656 0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0224 0.8190 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1119 0.1869 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 1.0136 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9329 1.0543 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5024 -0.4761 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5034 -1.8900 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1899 -1.6671 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 1.7644 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0518 -0.7672 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0896 0.5933 0.1852 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