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
    3.5034    0.2109    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    0.4905   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708    1.1131   -0.4631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    0.3396   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179   -1.0042    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -1.7760    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334   -1.1530    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8017    0.1909   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    0.9730   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.9114   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684   -0.2724    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854    0.4330    1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4061    0.2328   -1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866   -1.5149    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4203   -2.8514    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6353   -1.7172    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330    2.0347   -0.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0258    1.7660    0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9540    0.2404    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863    1.3529   -1.2361 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