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
   -1.3722    2.7751   -0.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662    1.5052   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    0.4215   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.8900   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356   -1.4997   -1.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783    0.4310   -0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    0.5645    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.5343    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -1.2458    1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -1.8411    0.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    3.0845    0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1425    1.2642   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937    1.4110    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8337    0.5215    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -1.3790    0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -2.4556   -1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -1.0749   -2.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029    1.5482    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.5451   -0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -0.4212    2.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6209   -0.9926    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1744   -1.7378    2.0559 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