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
    4.0966    0.5675   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -0.1044   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7806    0.5783    0.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    0.0325    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693   -1.3335    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.8404    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -1.0006    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798    0.3700    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    0.8610    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    1.2860    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0774    1.6393   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0302    0.0388   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0014   -1.1820    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -2.0476    0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0563   -2.9276    0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0192   -1.4225    0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4675    1.9332    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    1.9663   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9658    0.6730    0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9927    1.9129    1.0938 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