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
    3.3906   -0.4312    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4007   -0.1347   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348    0.6571   -0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764    0.0526   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964   -1.3005   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -1.8629   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -1.1138    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151    0.2379    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802    0.8382    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800    2.3053    0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136   -1.0463   -0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298   -0.0874    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262   -0.5153   -1.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -1.9128   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -2.9356   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020   -1.5550    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0338    0.8854    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751    2.8570   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    2.7024    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0596    2.3597    1.2191 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