Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=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
    3.9925    0.1401    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408   -0.2583   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    0.5644   -0.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341    0.0876   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604   -1.2385    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -1.6765    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -0.8443    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8253    0.4787   -0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    0.9284   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9782    1.4109   -0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368   -0.5211    0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0166    1.1286    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037   -1.2711   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909   -1.9238    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1509   -2.7232    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620   -1.1961    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229    1.9716   -0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412    2.0730    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7738    2.0187   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    0.8508   -0.4447 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
  8 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
  9 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