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
-2.6380 0.5406 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2883 0.0294 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0369 -0.9259 1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3344 -1.0670 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -0.2233 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1513 0.4125 -0.4817 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -0.0681 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 0.7794 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 1.4446 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2049 -0.2027 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1866 0.8316 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7665 -1.4506 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8813 -1.7453 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 -0.6569 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7345 0.9206 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9756 1.3811 -1.7209 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