Monomers
Phenyl vinyl ether
Identifiers
IUPAC name
ethenoxybenzene
InchI
InChI=1S/C8H8O/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
NHOGGUYTANYCGQ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1
Canonical SMILES
C=COC1=CC=CC=C1
Isomeric SMILES
C=COC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O
Heavy Atom Count
9
Molecular Weight
120.151
Exact Molecular Weight
120.0575
Valence Electrons
46
Radical Electrons
0
tPSA
9.23
MolLogP
2.2089
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
3.3722 -0.0118 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4059 0.1210 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3759 -0.7701 -0.2867 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0325 -0.4218 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 -1.3652 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3121 -1.0381 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 0.2792 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7000 1.2252 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3652 0.8935 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3510 -0.8308 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1891 0.6967 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4255 0.9361 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 -2.4076 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0799 -1.7998 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7451 0.5600 0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0203 2.2611 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 1.6724 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers