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
   -3.8032    0.2069   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979   -0.5135    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5595   -0.3674    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581    0.5618   -0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406    0.6999   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -0.0940    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037   -1.0190    1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623   -1.1683    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844    0.0660    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -1.0843    0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057   -0.1485   -0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843    0.0685   -0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4426    0.9591   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385   -1.2721    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932    1.2276   -1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748    1.4397   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787   -1.6644    1.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2777   -1.8969    1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558    0.8190    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225   -0.6732   -1.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    0.4107   -1.0319 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