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
    3.7890    0.1561   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089    0.2944    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.2567    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0708   -0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090    0.0527   -0.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704    0.2090    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    0.3942    1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    0.4184    1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7521    0.1806    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -0.5529    1.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -1.0761   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8685    0.1925   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3915    0.0035   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    0.4482    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212   -0.0596   -1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258   -0.0954   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    0.5208    2.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203    0.5669    2.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133    1.1123   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -2.0554   -0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3859   -1.0378   -0.6722 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