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
   -3.7406    0.6348    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308    0.4465   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9548   -0.7509   -0.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484   -0.7958    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -1.9825    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906   -2.0354    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913   -0.8550    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    0.3370    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    0.3759   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790    1.6255    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1388   -0.1113    1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    1.5605    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    1.2250   -0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -2.8996    0.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0184   -3.0022    0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2642   -0.8937    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685    1.2998   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.4493   -0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    2.2484   -0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1072    2.1236    1.0023 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