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
   -3.8802    0.4081    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9852   -0.4462   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5693   -0.3208   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -1.2972   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -1.2122   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226   -0.1467    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853    0.8328    0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.7208    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806   -0.1181    0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -0.4618   -0.8448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5481    0.8007   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9348    0.2559   -0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    1.2844    0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3335   -1.3293   -0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1097   -2.1357   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -2.0203   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005    1.6765    1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6146    1.5025    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -0.6493    1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593    0.9655    0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982    1.6907   -0.7861 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