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
    3.0584   -0.6552   -0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    0.3099    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    0.9028    0.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887    0.1593    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546   -1.1870    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0531   -1.8729    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -1.2404    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2204    0.1028   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    0.7827   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9968    2.2247   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876   -1.1505   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.9951   -1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1405    0.6509    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919   -1.7041    0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -2.9242    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1947   -1.8007    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.5823   -0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096    2.6543   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2834    2.7717    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7320    2.3887   -1.5020 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