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
    3.7666   -0.7877   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513    0.1018    0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    0.1243    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418    1.1197    1.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266    1.1959    1.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    0.2912    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -0.6944   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -0.7680   -0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057    0.3935    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4079   -0.8448    0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5471   -0.2194   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715   -0.7604   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937   -1.5690   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    0.8607    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    1.8564    1.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    1.9736    1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848   -1.4199   -0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960   -1.5661   -0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    1.2763    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597   -0.8435   -1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5093    0.2796   -0.6008 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