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
   -3.8549   -0.6098    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9255    0.1849    0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5332    0.1632    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048    1.0452    0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.0554    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    0.2062   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -0.6637   -1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.6905   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797    0.2523   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932   -1.0812   -1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.1460    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6063   -1.3171   -0.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8507   -0.5318    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703    0.9024    1.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    1.7318    1.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    1.7751    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.3330   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401   -1.3955   -1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8767    0.8517   -1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    0.1262   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -0.5259    1.0728 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