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
Resources
cid=

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
    3.5825   -0.1157    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -1.1733   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508   -1.3133    0.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -0.4778    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643    0.5996   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.4095   -1.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6408    1.1340   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    0.0542    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -0.7649    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.2258    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.6770    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -0.0665   -0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302   -1.9779   -0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6605    0.7793   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883    2.2559   -1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5157    1.7458   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681   -1.6061    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6446   -1.0544    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.5177    1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807    0.6382    0.9320 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