Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=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
    3.4810   -0.5445    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464   -0.6799    0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.2758    0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126   -0.0815    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -1.4199    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990   -1.7385   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885   -0.7380   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668    0.6024   -0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.9180   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    2.3569   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163   -1.2798    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636    0.3035   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797   -1.5258    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -2.1925    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -2.7897   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4946   -1.0240   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109    1.3513   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605    2.4561    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    2.8463   -1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1114    2.9038    0.6093 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
  9 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
  8 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