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
   -1.8500    1.9072    0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.9544    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941   -0.1280    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337   -0.6762   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2053   -0.4260    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -1.1304    0.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876   -1.1571   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273    0.0726   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.1046    0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -0.1769   -1.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    2.2401   -0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.5956    2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    1.4044    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161    0.3677   -0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1813   -1.2764   -1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1617   -0.8623    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2244    0.1687    1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795   -2.0709    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140   -1.3339   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    1.0200   -0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7606   -0.6952    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    1.0980    0.4000 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