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
    3.6660   -0.5845    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362    0.1257    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.2761   -0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647   -0.2687   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -0.6801   -1.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605   -0.6779   -1.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.2704   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.1381    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309    0.1399    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    0.5751    1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2318   -0.2852    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698   -1.4764    0.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    1.0075    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -0.9983   -2.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747   -1.0052   -2.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2576   -0.2711   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971    0.4603    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1794   -0.1675    2.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3377    0.7011    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967    1.5532    1.8765 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