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
    3.7563    0.5121   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329   -0.3139    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -0.3170    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -1.2342    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653   -1.2744    0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411   -0.3831   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332    0.5219   -0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    0.5559   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6861   -0.3397   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6191   -0.3915    0.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650    0.9261    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406    1.2517   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    0.4450    0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258   -1.0361    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560   -1.9077    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -1.9784    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602    1.2220   -1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    1.2761   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.5505   -1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7946    1.5973    0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251    1.4183   -0.4918 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