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
3.0206 0.2732 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3098 -0.2257 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2298 -1.0427 -0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0089 -0.5560 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1763 0.7776 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3804 1.2652 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4496 0.4051 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -0.9327 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0787 -1.3968 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 0.9148 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 0.0286 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6228 0.0438 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6353 1.4615 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5365 2.3167 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4114 0.7365 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1338 -1.6252 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 -2.4440 -0.3497 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