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
    3.1648   -1.4060   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -0.9054    0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0841    0.4246    0.5435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624    0.7241    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    2.0515    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837    2.2918   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.2443   -0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4578   -0.0705   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255   -0.3218    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476   -1.1763   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -0.8185   -1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4713   -2.4327   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838   -1.5122    1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    2.8474    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    3.3252   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325    1.4511   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -1.3706    0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4571   -0.8709    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428   -1.4742   -1.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929   -2.0008    0.4094 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