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
   -3.6798   -0.8878    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9494   -0.7244   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551   -0.2834   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017   -0.0063    0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    0.4113    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    0.5685   -0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    0.2907   -1.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8150   -0.1223   -1.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650    1.0150   -0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    0.3693   -1.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970    0.0739    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3065   -0.7106    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -1.2233    0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587   -0.9132   -1.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118   -0.1089    1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8857    0.6149    1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801    0.4203   -2.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052   -0.3324   -2.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460    2.0944   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -1.0065    0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062    0.4606    0.8450 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