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
2.4827 -1.2870 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0025 -0.1978 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5739 0.0760 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 -0.7560 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 -0.5117 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5662 -1.4185 1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1901 0.6461 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2983 1.5079 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0776 1.2496 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8778 2.1835 -1.2673 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8829 -2.0096 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5692 -1.4744 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7072 0.4791 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -1.6858 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9670 -2.1555 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2483 0.8629 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 2.4163 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8603 2.0749 -1.3392 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