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
3.0310 0.1307 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3331 -0.4782 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1960 -1.2089 0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0251 -0.5858 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1442 -1.3227 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 -0.7544 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 0.6157 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3321 1.3716 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 0.7824 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7063 0.0530 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9141 0.6905 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6236 -0.4272 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0600 -2.4153 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 -1.3754 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 1.0707 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4250 2.4602 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 1.3931 0.2842 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