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
   -1.7930    1.9943    0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    1.1503    1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8622   -0.1709    0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2082   -0.7171    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6239   -0.9196   -1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1305    0.1331   -0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697   -0.5146   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114   -0.2295    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3304    0.4417    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436   -0.9225    0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541    1.7317   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    0.9164    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    1.5582    1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3658   -0.9070    1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -0.9509    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494   -0.6755   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5876   -1.3120   -1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -1.6215   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755   -0.1586   -1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -0.1508    1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577    0.7956   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922    1.0449    0.8684 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