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
2.5436 -0.6925 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 -0.0124 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 1.3164 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 1.5066 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8202 0.2802 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0902 -0.5626 0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2493 0.0173 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7428 -1.1859 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4017 -0.3092 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4902 -1.7755 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6763 -0.4648 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9092 2.0499 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6949 2.4185 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8977 0.8130 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1003 -1.9790 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7719 -1.4199 -0.5090 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