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
    3.8462    0.3184    0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755    0.3011   -0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401    0.0566   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    0.0602   -1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628   -0.1659   -1.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2485   -0.4107   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164   -0.4169    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604   -0.1869    0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7155   -0.6563   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5889    0.1777   -0.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    0.5234    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    0.1452    1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    0.5054    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504    0.4877   -1.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.2513   -2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251   -0.1633   -2.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8491   -0.6060    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5903   -0.1988    1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -1.6721    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3171    0.2559    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9044    1.3938    0.9358 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