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
   -3.7856    0.6967    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -0.1964    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5850   -0.2300    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -1.2129   -0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174   -1.2587   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.3331    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    0.6459    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8534    0.6689    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058   -0.3989    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211   -0.6082   -0.9136 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037    0.6935   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3858    1.4767    1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8711    0.7024    0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5292   -0.9410   -0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247   -1.9329   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -2.0198   -1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638    1.3923    1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.4476    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -0.9534    1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.5323   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518    0.8290    0.1421 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