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
    3.8211    0.0880   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    0.9126   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    0.5139   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    1.4355    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732    1.0625    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -0.2366    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2206   -1.1529   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016   -0.7795   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -0.7146    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -1.5410   -0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -0.2553   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    0.4347   -0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969   -0.9568   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565    1.9312   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464    2.4699    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421    1.7697    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994   -2.1836   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938   -1.5545   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -1.2298    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832    0.4904   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574   -0.5037   -0.1339 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