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
    3.6858    0.9250    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899    0.0833   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.0786   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001    0.6182    0.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587    0.4101    0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2101   -0.5085    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -1.1866   -0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -1.0092   -0.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721   -0.6814    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668   -0.7412   -0.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4818    0.5070   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608    1.5560    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637    1.0307    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5384   -0.5121   -0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    1.3360    1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.9631    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.9153   -1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5084   -1.5804   -1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222   -1.2424    1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3797    0.7199    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    1.3063   -0.7884 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