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
   -1.1416    2.1277   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315    1.2948   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993   -0.0453   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -0.7662    0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022   -2.0558    0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3078    0.1087    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -0.4040   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -0.1348   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.6993    1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -0.6612    1.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014    2.0523   -2.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929    1.7589    0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566    1.0542   -0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -0.5648   -1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485   -0.1771    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893   -2.5661    1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200   -2.6160   -0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303    0.0664   -1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123   -1.5096   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -0.0369   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577    0.9501    1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857    1.4253    1.2086 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