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
    3.2346   -0.9532   -0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777   -0.5090    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0706    0.6852    0.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858    0.7348    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0846    1.9681    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.1396    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    0.9939    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4703   -0.2429    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.3848    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.4495   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920   -0.4438   -1.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -1.8814   -0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9454   -1.0502    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6944    2.8586    0.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    3.1076    0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509    1.0446    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.3590    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3271   -1.2916    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4424   -1.6734   -1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -2.2935    0.4451 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