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
    3.1317   -0.1374    0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -0.5973   -0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -1.0705   -0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029   -0.1743   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    1.1670   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924    2.1147   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8893    1.6714    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143    0.3364    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -0.5887   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -2.0478   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    0.2201    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -0.1105    1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688   -0.6130   -1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163    1.4784   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    3.1547   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548    2.4375    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509    0.0395    0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4520   -2.2441   -0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -2.5812   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -2.4547    1.0056 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