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
-2.4662 0.9939 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 0.2358 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 -0.8209 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0762 -1.2287 1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 -0.3967 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 0.4395 -0.3621 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2383 -0.4189 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7977 0.4371 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 0.2899 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 1.5069 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7860 1.7081 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0796 -1.2338 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4978 -2.0175 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.1350 0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2191 1.1905 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8594 0.4499 -1.0343 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