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
    3.8264    0.6798    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092   -0.1104   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -0.1588   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.6184    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473    0.5353    0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -0.3180    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530   -1.1013   -0.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -1.0247   -1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727   -0.4742    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950   -0.5071   -1.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5916    0.5717   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878    0.6877   -0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735    1.3483    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487   -0.7618   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4916    1.3088    1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264    1.1588    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1244   -1.7917   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -1.6372   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -1.1932    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    1.5671   -0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6146    0.6027    0.0613 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