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
-2.6460 0.6148 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2759 -0.0068 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 -1.2726 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3966 -1.4486 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8706 -0.2686 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 0.5348 0.1953 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.0130 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 1.1826 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1657 0.3467 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5603 1.7230 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2261 0.2822 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7124 -1.9522 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 -2.3464 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0342 -0.7381 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6537 1.3754 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9069 1.9607 1.0448 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