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
   -3.8603    0.1378    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9099   -0.7614    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5197   -0.4497    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659    0.8217    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752    1.1177   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    0.0770   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213   -1.1849    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -1.5026    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935    0.4043   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477    1.6147    0.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    0.3059    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9182   -0.1296    0.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.1557    0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2129   -1.7901    0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7373    1.6695   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    2.1363   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.9932    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -2.5031    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8242    0.5568   -1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    0.4479    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017   -0.1309    1.5372 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