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
   -2.9188    1.1368    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.0077   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546   -1.0751    0.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812   -0.9426    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -1.9981    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429   -1.9146    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545   -0.7502    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    0.3080   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355    0.2023   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    1.5520   -0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    1.2199    1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692    1.9484   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2203   -0.0646   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615   -2.8746    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237   -2.7455    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343   -0.6272    0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5951    1.0548   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    1.4004   -1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.7955    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    2.3670   -0.6522 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