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
    3.9200   -0.1755    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    0.5185    0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211    0.2210    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5399    1.0081    0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    0.7186    0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -0.3254   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1983   -1.0981   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -0.8297   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5940   -0.6133   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4594   -0.6026    0.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966    0.4774   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9349    0.0961    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850   -1.0204   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604    1.3605    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267    1.8319    1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    1.3299    1.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4722   -1.9246   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511   -1.4672   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736   -1.3856   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3651    1.4445    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5368    0.4360   -0.8360 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