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
   -3.7089    0.8875    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0114   -0.2071    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619   -0.2081    0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8225    0.9239    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768    0.8569    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -0.3266    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091   -1.4486    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -1.4075    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432   -0.3089    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666   -1.0177   -0.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    0.3649   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314    1.8367    0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8169    0.8471    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5353   -1.1596    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    1.8978    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881    1.7963    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -2.3882    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -2.3069    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551   -0.2029    1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687    0.9904   -0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352    0.5805   -1.5806 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