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
    3.7739    0.8124    0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921   -0.2085    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -0.2023    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784   -1.3108    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -1.2909    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795   -0.2178   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    0.8777   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    0.8686   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281   -0.3061   -0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358   -0.8685    0.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5778    0.4372    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    1.7129   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    0.7385    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709   -1.1263    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -2.1789    0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840   -2.1696    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8650    1.7463   -1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    1.7531   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -0.8958   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    1.2049    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5847    0.6240   -0.3016 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