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
    3.3304   -0.3927   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -0.0081    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293    0.7290    0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028    0.1022    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -1.2442    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754   -1.9355    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032   -1.1972   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.1549   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    0.7989   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    2.2526   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594   -0.1416   -1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030   -0.9562   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -0.2663    1.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -1.8008    0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053   -2.9991    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562   -1.7415   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1782    0.7110   -0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565    2.7463   -0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    2.7632    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    2.4251   -1.5177 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