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
-2.8237 -0.6551 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4259 -0.1679 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 1.0914 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3666 1.0750 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 -0.2297 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3746 -0.8982 -0.2448 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1023 -0.7142 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1530 0.0506 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1635 -0.6144 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 -1.7426 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 -0.0868 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6153 1.9486 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 1.8779 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2502 -1.7383 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9433 1.0959 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1680 -0.2922 -0.0779 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