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
-2.8598 -0.2994 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4103 -0.0584 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 0.7037 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5267 0.6390 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7081 -0.1588 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4623 -0.5536 -0.7327 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 -0.5206 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0834 -0.0652 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -1.2781 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3370 -0.3613 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3263 0.5470 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3283 1.2508 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2834 1.1001 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9722 -1.1616 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0175 -0.3442 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 0.5606 0.5209 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