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
    3.8544    0.5096    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0073   -0.4694    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967   -0.2534   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -1.3660   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733   -1.2181   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055    0.0030   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    1.1007   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    0.9764   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596    0.0748   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -0.9689    0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798    0.3931    0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    0.3108    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954    1.5183    0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4044   -1.4783    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092   -2.3657   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139   -2.1012   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963    2.0691   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5574    1.8775    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0289   -0.0158   -1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    0.7289    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6202    0.6747    0.2404 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