Monomers

1-Methoxy-3-vinylbenzene

Identifiers

IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=C1)C=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
2.3382
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
   -2.9050    1.0675   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.0523   -0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -0.3013    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972   -1.3067    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0594   -1.6745    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -1.0217    1.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9901   -0.0172    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903    0.3389   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378    0.6855   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3957    0.4463   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109    2.0905   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9258    0.9217   -1.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049    0.9999   -2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -1.8164    1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341   -2.4701    2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636   -1.3320    1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142    1.1387   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    1.4857   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -0.3125    0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130    1.0254   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  8  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers