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
   -3.7093   -0.1787    1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423   -0.1910    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020   -0.0083    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874   -0.0392   -1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726    0.1291   -1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947    0.3384   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5975    0.3710    1.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819    0.2000    1.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    0.5155   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978   -0.5429   -1.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6101   -0.4944   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7781   -0.3176    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -0.0254    2.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -0.3530   -0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364   -0.2033   -2.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.1036   -2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    0.5344    1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967    0.2348    2.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    1.4930   -0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569   -1.3579    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772   -0.2081    0.0003 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