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
   -1.4456   -2.4213    0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -1.1974    0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.1218    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9077    1.1525    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801    2.1068   -0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -0.0637    0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -0.3675    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093   -0.3437    0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    0.5634    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771    0.8117    1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -3.0185    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821   -1.1812    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4527   -0.9669    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -0.3872   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223    1.3495    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949    3.0610   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    1.9712   -1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -1.4297   -0.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    0.3219   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8223   -1.2973    1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794    0.1855    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    1.2728   -0.7060 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