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
    3.5819   -0.3301    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    0.3888   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274    1.0812   -0.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.4113   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -0.9642   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339   -1.6570   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076   -0.9575   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    0.4193   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823    1.0872   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0787    1.1078    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5036   -0.8584    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318   -0.4035    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041    0.4307   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126   -1.4942   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -2.7362   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594   -1.4893   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956    2.1563   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919    2.1975    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5529    0.7506    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224    0.8595   -0.6795 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