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
-2.4299 1.4124 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9003 0.3353 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 -0.0455 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 0.7143 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6011 0.3433 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3996 1.0839 1.7563 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0730 -0.7949 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2979 -1.5670 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0309 -1.1796 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7693 -1.9546 -1.5985 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4818 1.6961 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9402 2.1020 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -0.2372 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0957 1.5909 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 1.8596 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1081 -1.0895 0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6642 -2.4633 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -1.8061 -1.8658 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