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
   -3.8266    0.2861    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8472    0.9791    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4676    0.5176    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754    1.2957   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143    0.8441   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1782   -0.3871    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716   -1.1389    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422   -0.7181    0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -0.8945    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087   -0.0102    0.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403   -0.3573   -0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8453    0.6903    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313   -0.6876    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0496    1.9621   -0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    2.2708   -0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972    1.4633   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890   -2.1333    1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810   -1.3928    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.9056    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2551   -1.1043   -1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907    0.4208   -1.6926 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