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
    3.7388   -0.9777   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    0.1030   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824    0.0928   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743   -1.0603    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031   -0.9774    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086    0.2041    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    1.3432    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    1.3143   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635    0.1923    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -0.9330   -0.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965    0.3997   -0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3190   -1.9526   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305   -0.8905   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    1.0650   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -2.0224    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -1.9259    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    2.2943    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.2161   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004    0.0435    1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809    0.8828   -1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613    0.5887   -0.3697 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