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
   -3.8405    0.3008   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9842   -0.6125   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5660   -0.3358   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    0.9244   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215    1.1488   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    0.1440    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6681   -1.1205    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.3470    0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    0.4238    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    1.2549   -0.5014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511   -0.0878   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9073    0.0580   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6092    1.3429   -0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -1.6392   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714    1.7741   -0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    2.1531   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494   -1.9170    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -2.3308    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548    0.7753    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986   -0.1164   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -0.7931   -1.1729 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