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
   -1.9483    2.1962    0.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842    0.8895    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728    0.0801   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -1.2903   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -2.2075    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    0.0257    0.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    0.5321   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911    0.5263    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.3388    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    1.0981   -0.2841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738    2.5517   -0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413    0.4005    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606    0.8087   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.5170   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1656   -1.5411   -1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -3.2064    0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -2.0120    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781   -0.0853   -1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068    1.5771   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3089    0.9561    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480   -0.4571    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131   -1.0205   -0.6873 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