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
    3.4745   -0.2922   -0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -1.3056   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872   -1.4330   -0.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.5247    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    0.5345    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354    1.4401    1.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.2269    0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    0.1770    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610   -0.7062   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248   -0.0629   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007   -0.2421   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    0.4857   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478   -2.1144    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    0.6867    1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    2.2771    1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.9261    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427   -1.5502   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621   -1.1444   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9516    0.5762    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552    0.0453   -1.3633 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