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
2.9369 0.4553 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 0.8098 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4634 0.2673 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6708 0.8525 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9284 0.3683 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 0.9604 -1.1748 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0913 -0.7028 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9761 -1.2608 0.8663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 -0.7793 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3922 -1.3832 1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1907 -0.3347 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8464 1.0004 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 1.6745 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5477 1.6965 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5155 1.7219 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0873 -1.0783 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 -2.1057 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2260 -2.1619 1.8427 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