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
    3.5854    0.4771   -1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -0.2588   -0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078   -0.7416    0.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.5743    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.0215    1.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229   -0.8635    2.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0442   -0.2235    1.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5139    0.2358   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791    0.0616   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.9263   -1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841    0.8702   -1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1121    0.6922   -0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -0.4757   -1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698   -1.5195    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493   -1.2270    2.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0893   -0.1032    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162    0.4364   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913    1.0907   -0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    0.3095   -1.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950    1.9089   -1.2898 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