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
    3.0285   -0.3166   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866   -1.0208    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202   -1.2509    0.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -0.1861    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387    1.1226    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762    2.1594    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328    1.8789    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.5620    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018   -0.4673    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -1.8661   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    0.1126   -1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -0.1492   -0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151   -1.4195    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    1.3547    0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    3.1760    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    2.6801    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882    0.3119   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -2.1039   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9596   -2.5742    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666   -2.0037    0.3365 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