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
2.8076 0.2724 1.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2831 -0.4790 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0344 -1.0592 0.8523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -0.5399 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0368 0.5409 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 1.0538 -1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 0.5012 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4072 -0.5777 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3132 -1.0951 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7737 0.7248 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2763 0.4470 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8549 -0.6229 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0106 0.9769 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 1.9062 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 0.8920 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4026 -1.0036 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4182 -1.9378 0.9856 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