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
-2.5129 0.8360 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2751 0.1064 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 -1.1213 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0959 -1.4123 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -0.3417 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0381 0.5051 0.2216 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 -0.2016 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8129 0.8923 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2457 0.1544 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1665 1.5641 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9863 1.3861 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0674 -1.7604 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -2.2859 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8487 -1.0045 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2171 1.6706 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8812 1.0128 0.1821 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