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
-2.9577 -0.2645 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 -0.8517 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4803 -0.3593 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -1.2606 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.7709 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9741 -1.6361 -0.1468 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 0.5692 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0728 1.4373 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2456 0.9813 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2593 1.9371 0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9094 -0.8252 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0555 0.7513 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9202 -1.9196 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -2.3051 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3895 -1.8656 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1432 0.9657 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 2.5089 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0946 2.9079 0.3407 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