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
    3.6883   -0.9405    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5812   -0.9838   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    0.1454   -0.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6449    0.4241   -0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566    1.5773   -1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.9431   -1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0519    1.1298   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5689   -0.0189    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350   -0.3904    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896   -0.9079    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883   -0.0017    0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -1.8416    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999   -1.9316   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    2.2572   -1.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530    2.8465   -1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    1.4209   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426   -1.2989    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368   -0.5565    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2557   -0.9144    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -1.9581    0.5600 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