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
   -1.4649   -2.3489    0.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729   -1.2034   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694   -0.0650    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223    1.1499   -0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1575    2.1345    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -0.2934   -0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1591   -0.2385    0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973   -0.4794   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    0.4835   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.4441   -1.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -3.1613    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -0.9252    0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -1.3862   -1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    0.1007    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    1.1851   -1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207    2.9894   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337    2.0472    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9646   -1.0720    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779    0.6858    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965   -1.5404   -0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6271    0.2035   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    1.2902    0.5764 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