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

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