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
-2.5780 0.0145 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -0.0511 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 -0.2456 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2366 -0.2309 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8493 -0.0267 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 0.0703 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2771 0.0645 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 0.2631 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7949 -0.9878 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3499 0.4137 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4465 0.7826 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 -0.3845 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7786 -0.3493 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0045 -0.0276 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7511 0.3346 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9808 0.3600 1.9978 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