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
   -3.7503    0.7907   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950   -0.2598   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -0.2398   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    0.9047    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    0.9104    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -0.2667    0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386   -1.4323   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -1.4011   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -0.2693    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420   -0.9715   -0.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    0.4212   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3993    1.7828    0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449    0.7367   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4938   -1.2103   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837    1.8535    0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429    1.8171    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794   -2.3535   -0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851   -2.3063   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -0.2915    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834    1.0269   -1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.7581   -0.3241 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