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
2.8825 -0.1620 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4397 -0.0836 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9607 -0.0701 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4043 0.0089 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 0.0422 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.0155 -0.9462 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 0.1252 -0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1335 0.1776 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1905 -1.1992 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4767 0.2242 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9700 0.4787 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5389 -0.1130 2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1559 0.0437 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 0.1434 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1403 0.2393 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0364 0.1602 1.0396 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