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
3.2390 -0.0055 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.6399 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3388 0.0127 -1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0227 0.0849 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3226 -0.4775 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5990 -0.4264 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 0.2152 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 0.7872 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9623 0.7257 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3459 1.0722 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 -0.5625 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2577 -1.7103 -0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4441 -0.9772 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -0.8651 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6083 0.3094 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0214 1.2919 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 1.1651 -2.2434 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