Monomers

2-(Oxiran-2-ylmethoxy)but-3-en-1-ol

Identifiers

IUPAC name
2-(oxiran-2-ylmethoxy)but-3-en-1-ol
InchI
InChI=1S/C7H12O3/c1-2-6(3-8)9-4-7-5-10-7/h2,6-8H,1,3-5H2
InchI Key
AHXZDKFSYLCESU-UHFFFAOYSA-N
SMILES
OCC(C=C)OCC1CO1
Canonical SMILES
C=CC(CO)OCC1CO1
Isomeric SMILES
C=CC(CO)OCC1CO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O3
Heavy Atom Count
10
Molecular Weight
144.17
Exact Molecular Weight
144.0786
Valence Electrons
58
Radical Electrons
0
tPSA
41.99
MolLogP
-0.0513
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.1279    1.0007   -2.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072    1.2341   -0.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729    0.1898    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    0.2777    1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -0.2824    1.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979    0.2513    0.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753   -0.9176   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603   -0.8696   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    0.1190    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9905    0.2071   -1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121    0.0948   -2.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020    1.1092   -0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.2574   -0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409   -0.7961   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766    0.8212    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2374   -0.8367    1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139   -0.1825    2.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -1.0572   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -1.7470    0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   -1.8585   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   -0.0458    0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    1.0312    0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  8  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers