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
    3.0996    0.4643    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -0.5779    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.9411    0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.1817   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561    1.0094   -0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    1.7441   -1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0148    1.2967   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    0.1066   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1472   -0.6389    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649   -1.9411    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    0.7245    0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    1.0955    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -1.1798   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829    1.3474   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    2.6782   -1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8606    1.9142   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594   -0.2141   -0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7906   -1.7307    1.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166   -2.4711    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1277   -2.5046    0.2194 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