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
   -1.3819    2.8319   -0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177    1.5715   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.4820   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6124   -0.8095   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162   -1.6507    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    0.4583   -1.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297    0.5575   -0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8029   -0.5673    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874   -1.5285   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -0.4454    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6376    3.4336    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119    1.3909   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5267    1.5104    0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731    0.5808    0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845   -1.0381   -0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -2.5713    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -1.4407    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    1.5023   -0.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9238    0.5301   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524   -0.7200    1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1657   -1.5851   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463   -2.4926    0.2615 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