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
   -1.4209   -0.5310   -1.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -0.4524   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745    0.3511    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682    0.6581    1.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134   -0.0112    2.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -0.2230    0.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588    0.5721   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -0.1030   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.2881   -1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719   -1.3506   -0.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.4159   -2.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385   -1.4957   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9117    0.0022   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8507    1.3402   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595    1.4323    2.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -0.7863    1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760    0.1981    3.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    1.5437    0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    0.7499   -1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.0072    0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4889   -0.1479   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038   -0.0353   -2.3299 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