Monomers
1-(Ethenyloxy)-3-methylbenzene
Identifiers
IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=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
3.8341 0.7297 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6719 0.5153 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9719 -0.6583 -0.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6008 -0.6935 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0104 -1.9020 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -2.0247 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 -0.9179 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5799 0.2982 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2176 0.4020 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4470 1.5076 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 0.0217 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3864 1.6352 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 1.2229 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5849 -2.7933 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7949 -3.0165 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2413 -1.0099 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 1.3579 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8744 2.4097 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7382 1.5599 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3624 1.3559 0.4039 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
8 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
7 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