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
-2.7901 0.7354 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 0.1608 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0458 -1.1492 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3290 -1.1185 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 0.1859 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 0.8953 -0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 0.7259 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1399 -0.0569 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5199 -0.0522 0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0294 1.2196 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 1.4721 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7064 -2.0136 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9677 -1.9917 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2622 1.7862 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 -1.1239 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1460 0.3246 -0.3694 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