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
   -0.7103   -1.2851   -2.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.0230   -1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    0.1259   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    0.4174    0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016   -0.5474    1.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0874   -0.1041    0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    0.7660    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    0.4850    0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    0.0759    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975    1.4754    0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421   -0.5667   -2.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412   -1.9507   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5745   -0.7765   -1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248    1.0186   -0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867    1.4155    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169   -1.5710    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901   -0.3287    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619    1.7899    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.7001   -1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3550    0.4739    1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239   -0.3198    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5451   -0.2706   -1.0512 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