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
    3.7435    0.6696    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -0.3616    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535   -0.2784    0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370   -1.4323    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -1.3982    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.2628    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5496    0.8776   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8386    0.8573   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955   -0.3334    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370    0.6826    0.8033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    0.6774   -0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.6164   -0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    0.5940    0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -1.3044    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -2.3593    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582   -2.3238    0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317    1.8068   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    1.7824   -0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1678   -1.3299    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9028    1.5290   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3372    0.2912   -1.1149 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