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
   -3.9648    0.2172   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9381    0.0005   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392   -0.0226   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1493    0.1872    0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    0.1573    1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954   -0.0832    0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059   -0.2933   -0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5199   -0.2655   -1.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   -0.1148    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   -1.1501    0.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    0.1177   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8221    0.3976    1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9533    0.2157   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1283   -0.1799   -1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274    0.3798    1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697    0.3270    2.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.4874   -1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8156   -0.4341   -2.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    0.1706    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.6901    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    0.1704   -1.2816 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