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
   -2.5365    1.7950   -0.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    1.5354    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212    0.0535    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733   -0.6833    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -0.9720    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.1169    0.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -0.6883   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -0.7990    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749    0.0274   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870   -1.3376   -0.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9613    2.2213    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9501    1.9669    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    1.9856   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -0.3306   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -1.0225    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8311   -1.5079    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009   -0.6598   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    0.0330   -1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903   -1.6376   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -0.9684    1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642    0.4660    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511    0.6399   -1.4976 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