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
   -3.6859    1.1106    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504    0.6434    1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993    0.2421    0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    0.3163   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -0.0824   -1.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.5551   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874   -0.6129    1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.2349    1.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -1.0034   -0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -0.4084    0.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071   -0.1502   -1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    1.2221   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6207    1.4040    1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058    0.5730    2.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359    0.6808   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -0.0286   -2.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565   -0.9840    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -0.2922    2.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925   -2.1227   -0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -0.5896   -1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8722   -1.5720 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