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
   -2.5812    1.3745   -0.8658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    1.4162   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -0.0470    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316   -0.8128    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689   -0.2395    1.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634   -0.1529    0.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -0.7184   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492   -0.7914    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037   -0.0150    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962   -1.3810   -0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1850    2.1045   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980    1.9848    0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    1.8627   -0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040   -0.4664   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -1.8854    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    0.8270    1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7602   -0.8203    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7165   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -0.0327   -0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285   -1.2658    1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209    0.6611   -0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5263    0.1144    0.9929 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