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
    3.9057    0.0752    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203   -0.7784    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196   -0.3711    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277   -1.3322    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -1.0448   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193    0.2726    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    1.2554    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956    0.9340    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569    0.5809   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2220    1.4682    0.8562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885    0.1101    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460   -0.2751    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7446    1.1533    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841   -1.8359    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8428   -2.3662   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -1.7990   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5952    2.2977    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    1.7179    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174    0.4874   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5233   -0.2556    0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -0.2945    2.0092 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