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
   -3.5592    0.9178   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308   -0.0004   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -0.1612    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577    0.6786   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208    0.5312   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780   -0.4347    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -1.2674    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578   -1.1495    0.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487   -0.5556    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664   -0.4683   -0.8490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260    0.4966    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0473    1.6536   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6681    1.0132   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6764   -0.6667    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102    1.4757   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    1.2250   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7254   -2.0330    1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -1.7892    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.4719    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888    0.4716    0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    1.5345   -0.0316 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