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
   -3.6632    0.5271    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983   -0.4821    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5154   -0.3129    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -1.4371   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525   -1.3914   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515   -0.1547   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    0.9818   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935    0.9151    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949    0.0405   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401   -0.8088   -0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4108    0.5058    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7194    0.3759    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3456    1.5546    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3395   -1.4662    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681   -2.3999   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450   -2.2569   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    1.9715   -0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314    1.8297    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    0.5464   -1.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    0.3037    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2726    1.1578    0.1100 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