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
    3.9478    0.9233   -0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677    0.2906   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    0.8565   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.1343    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -1.2371   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049   -1.8902   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199   -1.2379    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    0.1447    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    0.8148    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720    0.8919    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146    1.8743   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    0.5104   -0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706   -0.6556    0.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   -1.7560   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7186   -2.9910   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8488   -1.7941    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.8922    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    1.9401   -0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178    0.8858    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8632    0.4032   -0.6649 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