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
   -3.6996    0.9063   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0202   -0.1892    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.2018    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198   -1.4105    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -1.5247    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997   -0.4168   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779    0.7783   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    0.8658   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -0.5399   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    0.0599   -1.1511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    0.6914    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133    1.8208   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903    0.9247   -0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5321   -1.1380    0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -2.3073    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -2.5067    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102    1.6958   -0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2634    1.8315   -0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1065   -1.5244    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080    1.6723    0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435    0.5126    0.6528 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