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
    3.8828   -0.2212   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    0.6439   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    0.2353    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -1.0702   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429   -1.3245    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632   -0.3330    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418    0.9648    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5950    1.2579    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5884   -0.6710    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3194   -0.0907    1.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023    0.3705    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126    0.1589   -0.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560   -1.2606   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676    1.6979    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915   -1.8556   -0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5419   -2.3770   -0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.7980    0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.2930    0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157   -1.7209    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523    0.0732   -0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    1.4311    0.0267 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