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
-2.8532 -0.1221 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 -0.6218 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4244 -0.1905 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5050 -1.1909 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7736 -0.8457 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 -1.8558 -0.8223 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1267 0.4843 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2542 1.4917 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0460 1.1298 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 2.1409 0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8392 -0.4474 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.6091 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8848 -1.3741 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1702 -2.2289 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 -2.2857 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1235 0.7743 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 2.5410 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8492 1.9920 0.8119 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