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
   -2.1258    1.3249    2.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    1.8435    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    0.7082    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639   -0.2034   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359   -1.5203   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817    0.0585    1.0992 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    0.1507    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829   -0.4478   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -1.7173   -0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585   -0.4447   -1.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295    2.1099    2.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912    2.3032    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7415    2.6345    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320    1.2073   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    0.2279   -1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796   -1.9801    0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -2.1592   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -0.3851    1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    1.2286    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -0.3913   -1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -2.4026   -1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815   -2.1453    0.1122 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