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
-2.8807 -0.4377 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4284 -0.1279 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9226 1.1304 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4414 1.0193 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 -0.3368 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4105 -0.9483 -0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -0.8980 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1480 -0.1324 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2579 -0.3854 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0785 -1.4668 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4962 0.2559 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4928 2.0593 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 1.8468 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 -1.9587 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0797 0.9434 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1369 -0.5630 0.0797 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