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
-2.8591 -0.6837 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6946 -1.0665 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 -0.3778 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7414 -1.0854 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 -0.5083 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 -1.2556 -0.1822 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 0.8068 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8713 1.5346 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 0.9205 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 1.6796 0.4137 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0275 0.1611 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7552 -1.2531 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 -1.9680 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6791 -2.1253 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5570 -1.2247 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0060 1.2373 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8522 2.5645 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 2.6439 0.7115 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