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
-2.9329 0.2395 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9137 -0.5188 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 -0.2502 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 -1.2703 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7226 -1.0559 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6268 -2.0988 -0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 0.1705 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2500 1.1809 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0872 0.9512 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9540 2.0233 0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9595 -0.0372 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9203 1.1511 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0797 -1.4512 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 -2.2248 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1604 -2.2658 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1832 0.3637 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5283 2.1633 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 2.9294 0.7264 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