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
2.4151 -0.1067 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2170 0.2039 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1287 1.1497 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1455 1.0911 -1.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8035 0.0906 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 -0.3880 0.4213 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1754 -0.3527 -0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 -1.3106 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1051 -0.7516 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0744 -0.6915 2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9261 0.8372 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9274 1.8299 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6022 1.6609 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7749 0.1236 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6756 -1.6217 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0176 -1.7642 0.8651 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