Monomers

2-(4-Ethenylphenyl)oxirane

Identifiers

IUPAC name
2-(4-ethenylphenyl)oxirane
InchI
InChI=1S/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2
InchI Key
DENMIBABNWPFEG-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C1OC1
Canonical SMILES
C=CC1=CC=C(C=C1)C2CO2
Isomeric SMILES
C=CC1=CC=C(C=C1)C2CO2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
12.53
MolLogP
2.4009
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.7909    0.4670    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821   -0.5473   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5516   -0.4574   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360   -1.5673   -0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339   -1.4854   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -0.2679   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794    0.8496    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    0.7394    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437   -0.2080   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606    0.6754    1.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834    1.0359   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139    1.4642    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    0.3695    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581   -1.5296   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242   -2.5249   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -2.4035   -0.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626    1.7987    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    1.6853    0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -1.1588    0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    1.9069   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4810    1.1581   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
  8  3  1  0
 11  9  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers