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
   -3.9102    0.0785   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -0.5089    0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557   -0.1989    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272    0.7412   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522    0.9868   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.2898    0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756   -0.6479    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940   -0.9001    1.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633    0.5697    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.6630   -0.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303   -0.4019   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381   -0.1900   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6418    0.8340   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272   -1.2789    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6956    1.2981   -0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400    1.7347   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -1.1960    1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -1.6600    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431    1.3965    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6909   -0.2256    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -1.3841   -0.4805 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