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
-2.8781 0.3734 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.0620 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 -0.7870 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 -0.7302 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7210 0.1756 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4413 0.5968 -0.6536 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 0.5621 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1238 0.0484 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5169 -0.0323 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0968 -0.0064 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0343 1.4718 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 -1.3901 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -1.2423 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0840 1.2702 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1101 0.3014 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -0.6733 0.6202 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