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
3.3015 -0.4378 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2746 0.3327 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 0.1252 0.6235 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1177 0.0827 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6800 -0.1175 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0715 -0.1673 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6634 -0.0090 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8717 0.1936 -0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4870 0.2389 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8664 -0.2420 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5396 -1.2408 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0317 1.1350 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2086 -0.2379 2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -0.3275 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7393 -0.0402 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3696 0.3138 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1297 0.3981 -1.6327 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