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
-2.5434 0.7165 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 0.0701 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1696 -1.2038 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1604 -1.4428 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -0.2778 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 0.5725 -0.2399 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.0908 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8253 1.0396 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3689 1.8050 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3232 0.6364 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9128 0.1955 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -1.8647 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5674 -2.3520 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8906 -0.8748 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8808 1.2386 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2097 1.8324 -0.4286 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