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
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
-3.1515 0.1131 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3227 0.5874 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4906 -0.2463 -0.7458 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1050 -0.2182 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7483 -1.0337 -1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0895 -0.9931 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6301 -0.1400 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 0.6742 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4174 0.6257 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 0.7808 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2065 -0.9372 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2608 1.6444 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3278 -1.7039 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7485 -1.6433 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6833 -0.1298 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 1.3542 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2745 1.2657 1.0023 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