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
    3.1142    0.6639    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -0.1047   -0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -0.8006   -0.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130   -0.1402   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    1.2201   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1881    1.8946   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2819    1.1692    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661   -0.1805    0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768   -0.8622    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.3218    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778    1.1827   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280    0.7886    1.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777   -0.1797   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    1.7877   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    2.9469   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2217    1.7137    0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280   -0.7455    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229   -2.7064    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309   -2.4820    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -2.8435   -0.3952 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