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
2.5602 0.7208 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 0.0169 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1255 -1.3092 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 -1.5107 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8473 -0.3038 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0940 0.5693 0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2803 -0.0264 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7297 1.1692 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0938 0.9089 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 1.6737 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2578 0.0642 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8750 -2.0666 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7795 -2.4114 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9992 -0.8250 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7777 1.3806 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0321 1.9495 0.4592 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