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
2.8808 0.4272 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4211 0.1410 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9602 -0.7191 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4105 -0.7095 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7365 0.1738 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 0.6317 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1047 0.5008 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1247 -0.0526 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 -0.4650 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3746 0.7906 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9274 1.2447 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5604 -1.3003 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 -1.2669 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2468 1.1922 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1388 0.1721 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0146 -0.7609 0.7721 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