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
   -1.8337   -0.9814    1.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296   -1.6492    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9160   -0.5759   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.2452   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487    1.3030   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.2035   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    0.1715   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092    1.0496    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    0.4764    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071    1.2063   -0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2305   -1.6213    2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300   -2.2623   -0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -2.2055    0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -1.0697   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367   -0.0580   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3359    1.8638   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234    1.5865    0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    0.6154   -1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179   -0.8407   -0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7438    2.0191    0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932   -0.5514    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    1.0754    1.7449 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