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
    3.7455   -0.3455   -0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821    0.5514   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    0.3272    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553   -0.8218   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179   -1.0110   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064   -0.0609    0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    1.0864    0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745    1.2984    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -0.2958    0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.8421    0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5334   -0.2351   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -1.2791   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8087   -0.1183   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    1.4965    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127   -1.6288   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -1.9425   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842    1.8300    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    2.1897    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157   -0.8764    1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4656   -0.8415   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0349   -0.1650   -1.5887 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