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
2.9964 0.1644 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4115 -0.7440 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1634 -1.2681 0.0903 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -0.5699 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1712 -1.2949 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 -0.6486 0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4936 0.7309 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3350 1.4221 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 0.7906 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4542 0.5461 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9833 0.5053 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9435 -1.1333 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -2.3859 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3167 -1.1807 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4353 1.2389 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3395 2.5040 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8077 1.3232 -0.1366 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