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
   -1.1919    2.6693    0.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7369    2.3057   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827    0.7889   -0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    0.2390   -0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851   -0.9145   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    0.2282    0.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255   -0.4642   -0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203   -1.0001    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3348   -2.3614    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1599   -1.8866    1.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    3.5287    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070    2.7804   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    2.6986   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968    0.5506   -1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8366    0.8691   -1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785   -1.6000    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4169   -1.2421   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152    0.1790   -0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -1.2932   -0.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4733   -0.2258    1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420   -2.7929    1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   -3.0567    0.1402 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