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
3.0017 0.3498 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4518 -0.7450 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2098 -1.2193 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0104 -0.5731 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 0.7038 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3862 1.2979 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 0.6283 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3851 -0.6732 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1307 -1.2531 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4315 0.9758 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9946 0.6355 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0280 -1.3549 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7393 1.2372 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4096 2.3193 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4809 1.1126 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2861 -1.1767 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1131 -2.2650 0.9885 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