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
    0.0303    2.3443    0.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1043    1.7001   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    0.3063   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -0.2569   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425   -1.1032   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -0.4594    0.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088   -1.1275    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786   -0.3374   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -0.5847    0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884    0.6048    0.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    3.2823    0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468    1.5955    0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    2.3567   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114    0.2730   -1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6884    0.0493   -1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8188   -1.4902   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4267   -1.4510    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -1.7630    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918   -1.8908   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1188   -0.2332   -1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204   -0.6694   -0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.1457    1.3722 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