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
2.9204 -0.0863 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 -0.2067 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6696 -1.3458 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 -0.9823 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 0.3784 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5832 0.7967 0.1747 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8078 1.2677 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0328 0.7850 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3774 -1.0549 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1507 0.6486 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2729 0.3281 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0566 -2.3435 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5176 -1.6462 -0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7121 2.3395 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1429 -0.2808 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9161 1.4026 0.2361 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