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
   -3.7744    0.6023   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0461   -0.3410    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964   -0.3005    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -1.3436    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5195   -1.3310    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339   -0.3103    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995    0.7037   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799    0.7117   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188   -0.3311    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563    0.0108   -1.1435 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    0.8483   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3254    1.4447   -0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8660    0.5154   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -1.1904    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -2.1520    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -2.1510    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9927    1.5285   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4096    1.5548   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -1.1884    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5762    0.8275    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    1.8919   -0.0875 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