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
    3.6909    0.2468    0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8419    1.0323    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610    1.1434    0.5417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876    0.4041    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6231   -0.5169   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368   -1.2478   -1.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -1.0085   -0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -0.0941    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7637    0.6077    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720    0.1650    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7272    0.1166    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3950   -0.3177    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566    1.5861   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.6615   -1.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143   -1.9763   -2.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496   -1.5668   -1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563    1.3485    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.5873    0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4837    1.2071    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570    0.1191    1.8545 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