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
    3.8917    0.0364    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055    0.7235   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    0.3177   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -0.8129    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981   -1.2001    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -0.4085   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871    0.7329   -0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295    1.1055   -0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -0.7878    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -0.6733   -1.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436    0.2362   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -0.8665    0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128    0.3711    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    1.6421   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492   -1.4840    0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5094   -2.0785    1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153    1.3941   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    2.0060   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -1.5818    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6446    0.0461    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2795    1.2817   -0.1381 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