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
2.8457 0.5039 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -0.5553 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2450 -1.2164 -0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0224 -0.6349 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 -1.3367 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3515 -0.7553 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4435 0.5037 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3021 1.1933 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0555 0.6283 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3283 0.8958 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7445 1.0290 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9265 -0.9327 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0438 -2.3238 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2408 -1.2966 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4228 0.9642 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 2.1726 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8461 1.1609 0.9180 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