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
-2.4333 1.0510 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 0.1342 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 -1.2167 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0987 -1.6177 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8269 -0.4550 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0357 0.5264 0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2541 -0.2909 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7572 0.8925 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 2.0459 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8536 1.0905 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2035 0.6332 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0777 -1.8605 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5243 -2.6002 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8844 -1.1547 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1032 1.7438 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8126 1.0783 0.4782 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