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
    3.8504   -0.3040   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9596    0.5571    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    0.3329    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929    1.3101    0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703    1.1100    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394   -0.0688    0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070   -1.0529   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9716   -0.8470   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -0.3114    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    0.8261   -0.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4092   -0.4073   -0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9053   -0.0788   -0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.2642   -0.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    1.5311    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    2.2745    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137    1.9180    1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009   -2.0190   -0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -1.6669   -0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1504   -0.6296    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3591   -0.9825   -0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -0.2276   -1.7563 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