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
   -0.5089    0.7098    2.8266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.0160    2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950    0.0871    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499   -0.4157   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1825   -0.1000   -1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1224   -0.4826    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    0.3845   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574   -0.4200   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261   -0.6192   -1.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984    0.2324   -0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633    1.5904    2.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498   -0.9937    2.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394    0.5956    2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    1.1888    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9225   -1.0637    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    0.5440   -1.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -0.4832   -2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507    1.1564    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8142    0.9704   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -1.2420    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -1.5670   -1.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.0883   -2.4517 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