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
    3.0824    2.4939    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969    2.5933   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893    1.5610   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358    1.7725   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    0.8003   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -0.4088   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413   -0.6126    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348    0.3773    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199   -1.4646   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752   -2.7907   -0.3773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -2.4611    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7847    3.3032    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    1.6211    0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6492    3.5148   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5212    2.7028   -1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2663    0.9853   -1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685   -1.5379    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0782    0.1413    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0592   -1.3501   -0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852   -2.4214    1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -3.1426    1.0844 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