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
    3.7082    0.0459   -0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260   -0.7752    0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -0.2500    1.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222   -0.1991    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -0.6670   -0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370   -0.5996   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559   -0.0827   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7588    0.3734    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    0.3336    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565    0.9397    0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    1.1026   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939   -0.3140   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419   -1.8635    0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -1.0834   -1.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -0.9544   -2.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237   -0.0203   -1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.6924    2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8776    0.8314    0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204    0.4669    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7199    2.0235    1.1212 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