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
    3.7304    0.8459   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -0.2122   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5501   -0.2802   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    0.8655   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.7800    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.4035   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926   -1.5430   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -1.4706   -0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6812   -0.4919    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2506    0.1935    1.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4836    0.7608   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8032    0.7654   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    1.8206   -0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817   -1.1622   -0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3449    1.8474    0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622    1.7026    0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665   -2.4687   -0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -2.3738   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   -1.4699   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657    0.5856   -0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9627    1.7085   -0.2596 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