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
   -1.3853    1.5159   -1.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245    0.4544   -1.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857    0.2335    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912   -0.8822    0.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960   -2.0889    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435   -0.0504   -0.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    0.8881    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.5935    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.5062   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7569   -0.7416    0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403    2.3292   -1.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907    0.7007   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -0.4391   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706    1.1525    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132   -0.6369    1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838   -2.8506    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3918   -2.3285    0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    1.8677    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886    0.9669    1.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252    1.3750    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   -0.4868   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2526   -1.0665   -1.2160 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