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
    2.9990    0.1767   -0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.8028    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.1707    0.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416    0.1695    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -1.1787    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800   -2.1682    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -1.7768    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1631   -0.4332    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    0.5530    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339    1.9793    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281   -0.0704   -1.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.1178   -0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    1.0313    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -1.4694    0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893   -3.2093    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5871   -2.4933    0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003   -0.1104    0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520    2.5826    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954    2.4656   -0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    2.0961    0.2114 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