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
   -0.3993    1.5418   -1.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644    1.0769   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -0.2857   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059   -0.7442    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.7367    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0994   -0.0380    0.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -0.7144    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495   -0.3063    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431    0.4865    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -0.9775    0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    2.5073   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052    1.0310   -1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    1.7519    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8508   -1.0018   -1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300   -1.1127    1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -0.3655   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -1.0645    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397   -1.8134    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -0.5667   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1748   -0.4910    2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    0.7911   -0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    1.0320    1.2673 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