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
   -3.7032    0.6600    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -0.1792    1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.2317    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    0.5616   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    0.4900   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -0.4237   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765   -1.2342    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -1.1572    1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382   -0.5237   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.8170   -1.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964   -0.0736   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4993    1.3235   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6860    0.6807    1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0553   -0.8597    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    1.2829   -0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4497    1.1495   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -1.9489    0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.8080    1.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760   -1.1777   -1.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    0.2922    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6028   -0.4089   -0.4988 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