Monomers
1-Methyl-4-(vinyloxy)benzene
Identifiers
IUPAC name
1-ethenoxy-4-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
YXHRYLHTQVXZIK-UHFFFAOYSA-N
SMILES
C=COc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC=C
Isomeric SMILES
CC1=CC=C(C=C1)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
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
20 20 0 0 0 0 0 0 0 0999 V2000
4.2306 0.2367 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0260 0.5693 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 -0.4265 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7609 -0.2718 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 0.8665 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2418 0.9541 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0366 -0.1140 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4037 -1.2557 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -1.3467 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5259 -0.0637 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5200 -0.7889 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9300 0.9977 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7201 1.6206 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 1.7048 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7445 1.8601 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0166 -2.1123 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4272 -2.2545 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8352 0.9948 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 -0.5908 0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8901 -0.5798 -1.2027 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
7 10 1 0
9 4 1 0
1 11 1 0
1 12 1 0
2 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers