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
2.5905 -0.6017 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2664 0.0530 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0208 1.4108 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3303 1.5261 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 0.2691 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 -0.5743 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2697 -0.0859 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6477 -1.3312 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 -0.7932 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3002 0.0581 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5136 -1.5788 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7540 2.2165 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8881 2.4613 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9927 0.6989 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -2.1240 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6713 -1.6046 -0.6701 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