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
    3.5877    0.4785   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958   -0.1128    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001    0.5541    0.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858   -0.1028   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148   -1.4731   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -2.0958   -0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218   -1.3586   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.0170   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846    0.6395   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058    2.1278    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142    1.4836   -0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.0270   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -1.1379    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955   -2.0551   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091   -3.1812   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970   -1.8206   -0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005    0.5966   -0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    2.4106    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0391    2.4443    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    2.6129   -0.9019 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