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
    3.2139   -1.3564   -0.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703   -1.2426    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284   -0.2599   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766    1.0698   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190    2.0065    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.1676    0.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -0.5908   -0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180   -0.4434    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4013    0.5810   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6431   -0.7840   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318   -1.2495   -1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -0.8756    1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959   -2.2359    0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581   -0.6526   -1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5603    1.2926   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308    1.7927    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.9679    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673    0.0303   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9598   -1.6260   -0.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660   -0.4854    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2089    0.9619   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    1.2667    0.5266 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