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
    3.8363    0.0433   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.5808    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    0.2595    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553    0.8695    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.5721    0.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1882   -0.3283    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3149   -0.9313   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -0.6436   -0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -0.6567   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349   -0.8706    1.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980    0.3097    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    0.3445   -0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649   -0.6690   -1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3095    1.3106    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490    1.5682    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660    1.0512    1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -1.6516   -1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728   -1.1596   -1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -1.4777   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6658    0.2566    0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689    1.2226    0.9476 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