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
   -2.2640   -0.3889   -2.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4009   -0.1025   -0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353    0.2271   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753    0.4374    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.2747    2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -0.8410   -0.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390   -0.5655   -0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752    0.5416   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057    0.2888   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    0.2406    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304   -1.3937   -2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0315    0.7990   -0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8921   -0.9264   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987    1.1484   -0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808    1.1891    1.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -1.0320    1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -0.1453    3.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -0.3377   -2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5626   -1.4838   -0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    1.5855   -0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   -0.7223   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403    1.1074   -0.0642 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