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
    3.5196    0.1538    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475    0.4184   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.4608   -0.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746    0.0159   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    1.3428    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881    1.8720    0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    1.0312    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3047   -0.3210   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -0.7886   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -2.2359   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227   -0.7828    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    0.8761    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    1.3593   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    2.0186    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    2.9143    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798    1.3917    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447   -0.9937   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -2.8716   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840   -2.5758   -0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802   -2.3640   -1.6656 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