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
3.1786 -0.7301 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1762 -0.8844 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5116 0.2403 -0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1386 0.3131 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 1.4496 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8893 1.5388 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5687 0.4819 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9210 -0.6591 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5556 -0.7163 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 0.2391 1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7233 -1.6129 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 -1.8490 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0197 2.2830 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 2.4203 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6500 0.5342 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5089 -1.4454 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0230 -1.6030 0.5657 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