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
2.5406 -0.8175 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 -0.0231 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1337 1.3082 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2193 1.5650 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8497 0.3476 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0965 -0.5420 0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3037 0.1234 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 -1.0949 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3893 -1.7099 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3515 -0.2190 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8783 -1.1481 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9626 1.9986 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6991 2.5042 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9693 0.9444 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 -1.3017 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0715 -1.9352 0.3882 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