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
-2.5867 0.5678 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 -0.0191 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0753 -1.2620 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 -1.4168 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8538 -0.2299 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1057 0.5536 -0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 0.0567 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7171 1.1952 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2522 -0.2532 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 1.3045 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 1.0550 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8772 -1.9501 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7409 -2.2779 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9709 -0.6608 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0379 1.9161 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 1.4207 -0.1571 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