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
   -3.6733    0.1631    1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -0.0926   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -0.1179   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007   -0.3949   -1.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707   -0.4201   -1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -0.1740   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914    0.0978    0.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733    0.1253    0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802   -0.1989   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   -0.9051    0.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359    0.4641    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7730    0.1798    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277    0.3686    1.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578   -0.3003   -0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -0.5917   -2.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -0.6381   -2.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    0.2985    1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    0.3526    1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384   -0.4377   -1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5354    0.8667    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    1.0543    1.2147 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