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
   -2.3520   -0.1370    1.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670   -1.0905    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109   -0.4172   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101    0.6808   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4246    1.7295   -1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.0641    0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0224   -0.6092   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -0.1778    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    0.4449   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201   -0.9325   -0.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6046    0.5200    1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -1.9345    1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9700   -1.4858    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036   -1.2186   -0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904    0.6521   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434    1.7767   -1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    2.5300   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -1.6895    0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -0.5168   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085    0.0465    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    0.7607   -1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1889    1.0041   -0.0652 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