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
2.9561 0.8708 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3983 -0.1182 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4787 -0.9616 0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1191 -0.6185 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3264 0.5672 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 0.9368 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5875 0.1211 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 -1.0695 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8093 -1.4417 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7294 1.0700 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 1.5175 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 -0.2833 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 1.1953 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 1.8978 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6250 0.3910 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8952 -1.6952 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4972 -2.3795 1.1071 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