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
   -3.3330    0.3025    2.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.1457    0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.0282    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.5482    1.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244    0.6267    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0557    0.1407   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0424   -0.4401   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401   -0.5179   -0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497    0.2480   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148   -0.8495   -1.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -0.4368   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    0.7836    2.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3652    0.1846    2.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821   -0.6153    0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942    0.9384    2.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    1.0866    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -0.8357   -2.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386   -0.9807   -1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    1.2165   -1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   -1.2381    0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    0.0123   -0.4784 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