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
   -3.8082   -0.5752   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8636   -0.0834   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106    0.0506   -0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.5772   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915    0.7153   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581    0.3506    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -0.1695    1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.3156    0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    0.4850    0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737   -0.7904    1.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377   -0.2906    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8397   -0.6751   -0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7076   -0.9109    0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    0.2236   -2.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    0.8626   -2.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717    1.1269   -1.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -0.4782    2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -0.7327    1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147    1.3659    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -0.0219    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190   -1.0054   -0.4277 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