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
   -3.5431    0.9170    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -0.1629    0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5601   -0.1920    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    0.8984    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005    0.7703    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -0.3913   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012   -1.4788   -0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049   -1.3843   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408   -0.5044   -0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488    0.6187   -1.5814 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    0.4565   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877    1.8177    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5862    0.8890    1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5503   -1.0823    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    1.8518    0.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    1.6535    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -2.4008   -0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -2.2493   -0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -1.4412   -1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    1.2365    0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.1778   -0.1370 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