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
-2.8128 0.6263 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 0.2471 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -0.4272 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 -0.5879 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 0.0208 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3210 0.4830 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1076 0.1336 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1379 -0.3497 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4429 0.7244 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 -0.1568 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7749 1.6088 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7027 -0.7843 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9742 -1.0574 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2663 0.6300 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 -0.2534 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0265 -0.8573 -0.9033 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