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
    3.1851   -0.7272    0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814    0.1881    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -0.1554   -0.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893   -0.1275   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -0.5523   -1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -0.5345   -1.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419   -0.1051   -0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.3136    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.3017    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523    0.7719    1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333   -1.7480    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -0.4458    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    1.1980    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -0.8889   -2.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734   -0.8652   -2.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8190   -0.0720   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    0.6635    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408    0.8808    2.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    1.8255    1.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    0.0790    1.9786 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