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
   -3.9028   -0.0234   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.8598   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -0.3841   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4871   -1.3143   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -0.9220   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    0.4113   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574    1.3294   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665    0.9293   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    0.8395   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -0.0214   -0.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258    0.0145    0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561    1.0476   -0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212   -0.4370   -0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0810   -1.9421   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -2.3727    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -1.6980    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    2.3900   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725    1.6855   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779    1.9105   -0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518    0.3901    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272   -0.9730    0.9341 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