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
2.5828 0.2052 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 -0.1672 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0198 -1.1830 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3441 -1.1724 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8460 -0.1426 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1368 0.4313 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 0.2892 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6253 1.2870 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 -0.5958 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4304 0.4731 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9654 1.1247 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 -1.8546 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8700 -1.8392 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9684 -0.2488 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6595 1.5592 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9288 1.8338 -1.0137 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