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
2.8253 0.2305 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4316 -0.7885 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2099 -1.3572 0.0976 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0072 -0.6526 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1976 -1.2674 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3878 -0.5709 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4331 0.7534 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2296 1.3732 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 0.6732 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7801 0.6920 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 0.6026 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0806 -1.1656 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -2.3125 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3228 -1.0889 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3841 1.2693 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 2.4185 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8964 1.1911 0.8073 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