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
   -3.5636    0.3340    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438   -0.7173   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7383   -1.1910    0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -0.4816    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    0.7261   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    1.4405   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608    0.9866   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141   -0.2216    0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568   -0.9532    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -0.7402    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4999    0.6554   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460    0.8816    1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814   -1.2659   -1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548    1.0988   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5407    2.4099   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    1.5463   -0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -1.9032    1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218   -0.9508    2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236   -1.6668    0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    0.0122    0.8173 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