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
-2.5812 -0.6359 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.0174 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0889 1.3020 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2603 1.4472 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8508 0.2406 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1116 -0.5578 0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2875 -0.0290 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 -1.2038 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1032 -1.0305 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4351 -1.4441 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2228 0.1281 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8606 2.0518 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 2.3523 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 0.7370 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7914 -1.4103 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0774 -1.9648 0.4000 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