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
   -3.8757   -0.2140    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    0.3937   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521    0.1509   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185   -0.7633    0.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -0.9652    0.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230   -0.2709   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111    0.6355   -0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499    0.8385   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852   -0.5437    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174   -0.6065    1.4002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171    0.5316    0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651   -0.9484    1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9168    0.0291    0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3191    1.1488   -0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243   -1.3459    1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7437   -1.7015    1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    1.1905   -1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    1.5584   -1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918   -1.1397   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    0.5356    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    1.4866    0.8783 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