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
   -2.8121   -0.5638   -1.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3102   -0.9983    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1629   -0.1475    0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256    1.2558    0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712    2.2133   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -0.1330   -0.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442   -0.6284    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367   -0.6276   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192    0.1719   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -1.1556    0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423   -0.8631   -1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0941   -0.9936    0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -2.0395   -0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -0.5569    1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.4372    1.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6041    3.2286    0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    1.9668   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384   -1.7057    0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456   -0.1388    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432   -1.0333   -1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    0.3297   -1.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678    0.9819    0.3982 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