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
    3.6114    1.0061   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0247   -0.0895   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6021   -0.1352   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541    0.9312   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205    0.8017   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639   -0.3740    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -1.4428    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -1.3340    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -0.5917    0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    0.3732    1.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5624    0.3669   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    1.9051   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762    1.0365   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.9734   -0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    1.8939   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556    1.6621   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7028   -2.4076    0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947   -2.2020    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414   -1.6089    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    1.2717   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483   -0.0893   -0.4095 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