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
    3.2459    0.9838   -1.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    0.9298   -1.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    1.5052   -0.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067    0.8798    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227    1.5115    1.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    0.9185    1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629   -0.2983    1.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134   -0.9182    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.3335   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215   -2.2251   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    0.5250   -2.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8489    1.4918   -1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307    0.4334   -2.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512    2.4649    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047    1.4011    2.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.7567    2.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531   -0.8350   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0261   -3.0293    0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -2.2186   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470   -2.4299    0.2926 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