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
2.7610 -0.1890 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2281 -1.1478 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9139 -1.4872 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1452 -0.6530 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1247 0.6350 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 1.5192 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1954 1.1167 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4681 -0.1686 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 -1.0632 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7933 0.0994 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1109 0.3467 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8875 -1.6779 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1577 0.9773 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6478 2.5196 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0030 1.7871 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -0.5331 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6833 -2.0812 -0.3633 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