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
   -3.8385    0.5534   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0217   -0.1168    0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -0.1231    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -0.8762    1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809   -0.9022    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631   -0.2017    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.5446   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786    0.5710   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -0.2652    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    1.0863    0.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333    0.1576   -0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9139    0.5252    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4170    1.1406   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4581   -0.7144    1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.4371    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -1.4915    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    1.1026   -1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388    1.1721   -1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974   -0.8203    1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611   -0.2290   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    0.3241   -1.8890 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