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
   -3.8483   -0.4958    0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981   -0.2771   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5627   -0.0436   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0061   -0.0386    1.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    0.1890    1.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.4146    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405    0.4083   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108    0.1842   -1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546    0.6505    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -0.2586    1.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.3557   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8898   -0.6617    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   -0.5169    1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732   -0.2664   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6041   -0.2073    1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.1928    2.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    0.5876   -1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499    0.1810   -2.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183    1.6783    0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -1.2791   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583   -0.0853   -0.1967 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