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
    1.4240    1.8431   -1.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    1.4879   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    0.0111    0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107   -0.8077   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -0.2422   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886   -0.2860   -0.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -0.6927    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -1.0487   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6971   -0.3965    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860   -0.1517   -1.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298    2.6131   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    1.8146    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    2.0128    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7643   -0.1591    1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035   -1.8789   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159    0.8284   -0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.8513   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058    0.0828    0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019   -1.6065    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -2.1256   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6294   -0.9569    0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5526    0.5098    0.8002 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