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
   -1.5195    2.4995   -0.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017    1.2370    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.2767    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -1.0050    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8190   -1.9395   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    0.1624   -0.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581    0.6336   -0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -0.1503    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -0.9715    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397    0.1899    0.8062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084    3.2303   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876    1.2417    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    0.8838   -0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469    0.7309    1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544   -1.1743    1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -1.7970   -1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590   -2.8769    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    1.7169   -0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181    0.4776   -1.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254   -0.5429    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   -0.8660   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313   -1.9568    0.5590 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