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
    3.2794   -0.9622    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    0.0381    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0028    0.9606    0.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.8490   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461    1.7537   -1.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869    1.6443   -1.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429    0.6083   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -0.2745   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949   -0.1778    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -1.3846    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861   -1.0272   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597   -1.7254    1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480    0.1333    2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492    2.5674   -1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    2.3513   -2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0819    0.5397   -1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684   -0.9070    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -0.9799    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -1.8174    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3599   -2.1898   -0.2144 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