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
   -3.7970    0.4610   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -0.5314   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -0.4117   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227    0.8013   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745    0.8481   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -0.2764   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -1.5022    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -1.5595    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -0.2016   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    0.6294   -1.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    1.0604    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    1.4497   -0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8913    0.3117   -0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287   -1.5210    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4728    1.7279   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663    1.7971   -0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -2.3813    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -2.5103    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -1.1530   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011    0.9978    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558    1.9639    0.4124 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