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
    3.9003    0.0332    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.6689   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.2876   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -0.7459    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -1.0582    0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871   -0.3442    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602    0.7018   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    0.9957   -0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036   -0.6993    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999   -0.7302   -1.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6737    0.2346   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372    0.3573    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389   -0.8046    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199    1.5177   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232   -1.3347    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029   -1.8937    1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4891    1.2915   -1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328    1.8178   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180   -1.5829    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6660    0.0304    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5004    1.2572   -0.4307 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