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
   -2.3659    1.8532    2.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    1.1556    1.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713    0.4873    0.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996   -0.5264    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -0.9846   -0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2648   -0.1740    0.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    0.3281   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335   -0.4420   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -1.2800   -1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.0038   -1.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022    1.7896    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1194    0.4181    2.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538    1.9123    2.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0016    1.2514   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.9347    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.7392   -1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -0.6334   -1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825    0.2059   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    1.4142   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -0.5307    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -1.4010   -2.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048   -2.1658   -1.0026 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