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
    3.4703    0.0954   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.4965    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335   -0.3249    0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195    0.1267    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451    1.4610    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523    1.9081    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456    0.9643    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2725   -0.3866    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749   -0.8323    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6161   -2.2634    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    0.7254   -0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -0.8673   -1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4615    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    2.1584    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    2.9650    0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5617    1.3146    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760   -1.1019    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -2.8483   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4723   -2.3717    0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -2.6805    1.4152 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