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
   -3.8783    0.3115   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    0.1222    0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503   -0.0407    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -0.2398    1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -0.3951    1.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192   -0.3612   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -0.1654   -1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0279   -0.0084   -0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -0.5305   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983    0.3780   -1.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5817    0.5973    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6532    0.3640   -1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9450    0.4306   -0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2973    0.0841    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -0.2648    2.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098   -0.5489    1.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284   -0.1384   -2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    0.1441   -1.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -1.5475   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362    1.4797    0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399    0.3294    0.3050 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