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
   -3.9119    0.0156   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941   -0.2043    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767   -0.1183    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -0.3654    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021   -0.2996    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    0.0127   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    0.2583   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443    0.1929   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    0.0726   -0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -0.9775    0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    0.2771    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6874    0.2729   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9770   -0.0487   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -0.4545    1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0774   -0.6135    2.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833   -0.4974    1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.5017   -2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    0.3897   -1.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1079    0.3981   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5605    0.7777    0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    0.4100    1.7300 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