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
2.9054 -0.0464 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8783 -0.2341 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.0823 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5101 -0.7799 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -0.6171 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8043 -1.3017 -1.3239 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1367 0.2109 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 0.8941 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 0.7309 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1329 1.4410 1.4038 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9178 -0.1835 -0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8473 0.2164 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0319 -0.5297 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1780 -1.4031 -1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 -2.2080 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1648 0.3055 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 1.5470 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 2.0400 2.1734 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