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
    2.4076   -2.0064    1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3362   -0.9083    0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2796   -0.7286   -0.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972    0.0810   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0765    0.7585    1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557    1.5443    1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461    1.6619    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    0.9708   -0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870    0.1848   -0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -0.5471   -2.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -2.8060    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2268   -2.1231    2.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989   -0.1583    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478    0.6709    1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0754    2.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976    2.2908    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    1.0468   -1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221   -1.4262   -2.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -0.7454   -2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    0.1642   -3.0601 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