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
   -3.1446   -1.3082    0.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953   -0.9314   -0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -0.3062    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072    0.9104    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    1.8446    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    0.0541   -0.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -0.6105    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -0.1218   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.6896   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905   -0.6294   -0.6514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9071   -2.1005    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147   -1.8887   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.2264   -1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7686   -1.0619    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004    1.0208    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4880    2.7612    0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842    1.7088   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   -0.5164    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -1.7077   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384    0.2924   -1.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.6153    1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9539    1.5117   -0.6048 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