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
   -1.2723    2.0288    1.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777    1.9647    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382    0.4874   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.1960    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335   -1.2720   -0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876   -0.0727    0.3707 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665   -0.5804   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882   -1.1884    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385   -0.6363   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -1.6956   -1.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110    2.9147    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    2.3664   -0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    2.5530   -0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    0.3834   -1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900    0.1651    1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6215   -1.7775   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043   -1.6390   -1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -1.3749   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2682    0.1735   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -1.9731    0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.3609   -0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -0.9920    0.4308 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