Monomers
2-Vinylhydroquinone
Identifiers
IUPAC name
2-ethenylbenzene-1,4-diol
InchI
InChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-5,9-10H,1H2
InchI Key
GWYFZTJDIQALEB-UHFFFAOYSA-N
SMILES
C=Cc1cc(O)ccc1O
Canonical SMILES
C=CC1=C(C=CC(=C1)O)O
Isomeric SMILES
C=CC1=C(C=CC(=C1)O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O2
Heavy Atom Count
10
Molecular Weight
136.15
Exact Molecular Weight
136.0524
Valence Electrons
52
Radical Electrons
0
tPSA
40.46
MolLogP
1.7408
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
-2.9668 -0.3323 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8083 -0.7455 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5299 -0.2941 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6171 -1.0584 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 -0.6791 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9713 -1.4710 -0.5244 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0641 0.4706 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9775 1.2242 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2952 0.8438 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 1.6560 0.7698 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0856 0.4196 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9103 -0.7272 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 -1.5168 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 -1.9596 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8931 -1.2049 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0834 0.7569 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 2.1311 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1998 2.4866 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers