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
-2.8863 0.1320 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4375 0.0288 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 -0.3503 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4683 -0.3103 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7101 0.0918 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4361 0.2737 0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 0.2663 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 0.0445 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1393 -0.2992 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1970 1.1936 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4863 -0.3921 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 -0.6248 -2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2348 -0.5434 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1154 0.5832 1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0960 0.1794 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1074 -0.2732 -0.8430 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