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
    3.8481    0.0603    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010    0.7294   -0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    0.3234   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    1.1120   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553    0.7522   -0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2024   -0.3452   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   -1.1083    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832   -0.7714    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232   -0.7512   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740   -1.1116    1.2841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    0.1045    0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380   -0.8029    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    0.4439    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    1.6256   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967    1.9742   -1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    1.3418   -1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236   -1.9945    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3761    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0527   -1.4313   -0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890    1.0477    1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6174    0.1776    0.5405 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