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
-2.9151 0.1375 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 0.0048 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -0.9269 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5946 -0.7474 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6798 0.2818 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 0.6746 0.5472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9263 0.8141 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0792 0.3187 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 1.0483 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3145 0.2356 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 -0.7181 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1812 -1.6508 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -1.3073 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 1.6250 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1921 -0.5056 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9866 0.7159 0.9792 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