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
    3.8582   -0.4388    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9687    0.5163    0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5566    0.2297    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462    1.2784    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998    1.0373    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -0.2419    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2821   -1.2679   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -1.0360    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328   -0.5391   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    0.1690    0.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5691    0.4580   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100   -0.1849    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5941   -1.4465    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    1.5564    0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0037    2.2816    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581    1.8251    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.2862   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405   -1.9146    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553   -1.5999   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523    0.1073   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2564    1.4967   -0.7655 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