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
-3.1193 0.4069 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -0.1388 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3198 -0.9720 -0.4155 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -0.5328 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9387 -1.4253 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2295 -1.0317 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5673 0.2906 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5934 1.1841 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 0.7927 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 0.2110 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 1.0453 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 0.0526 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6481 -2.4795 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9896 -1.7517 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6057 0.6356 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 2.2270 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 1.4862 -0.6613 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