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
   -3.1515    0.0813    0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526   -0.6178   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1942   -1.1269   -0.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1501   -0.2065   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3539    1.1454   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    2.0381   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413    1.6276    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1677    0.2611    0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344   -0.6403    0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271   -2.0863    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    0.4518    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022    0.3127    1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461   -0.8226   -1.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3334    1.5046   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863    3.1147   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396    2.3476    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931   -0.0122    0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080   -2.2986    1.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1887   -2.3527   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564   -2.7213    0.2749 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