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
    3.6952    0.8935   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -0.2307   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867   -0.2738   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.4683   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -1.5400   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998   -0.3963    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.8103    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    0.8460    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6763   -0.4972    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2242    0.2389    1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    0.7019    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7904    0.8632   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791    1.8542    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -1.1702   -0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940   -2.3545   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370   -2.5224   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979    1.7424    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953    1.8365    0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308   -1.4790    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5925    0.5110   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0393    1.6347   -0.2393 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