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
    3.9163   -0.5335   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134    0.3578    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    0.1603    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039   -1.0049   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674   -1.1755   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -0.1600   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    1.0144    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896    1.1675    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -0.3795   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507    0.7574   -0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.3637    0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9713   -0.3375   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -1.4871   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579    1.3273    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261   -1.8390   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997   -2.0883   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    1.7976    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972    2.0945    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -1.3351   -0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456    1.1154    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6396    0.1842    0.8673 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