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
    3.8174    0.2828    0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688   -0.5658    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -0.2856    0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370   -1.2575   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999   -1.0444   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771    0.1786   -0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3564    1.1519    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800    0.9304    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6123    0.4076   -0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2142    1.1019    0.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6396   -0.2348    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    0.0467    0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5050    1.2818    1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442   -1.5642    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.2253   -0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -1.8404   -1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    2.1037    0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580    1.7389    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095    0.9365   -1.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -0.9456    0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6871   -0.1970   -0.3377 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