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
2.7943 0.2634 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.0433 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0035 -0.9360 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3553 -0.8031 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7319 0.2730 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 0.7103 -0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1099 0.7660 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0947 0.2157 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2986 1.0505 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3856 -0.6726 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7620 0.6008 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6175 -1.6833 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0004 -1.3996 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 1.6006 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1007 0.5980 0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8773 -0.6271 1.2847 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