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
   -2.2550    1.6179    1.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8067    1.5539   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7503    0.4707   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573   -0.8153    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8819   -1.6792   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712    0.8327    0.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    0.9650    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -0.3865   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -1.1249    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.5042   -1.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8551    0.8395    1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    1.3344   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    2.5001   -0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    0.3513   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396   -0.9871    1.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993   -1.5101   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -2.5951   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    1.3437    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    1.6995   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -0.9707   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718   -0.7014    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185   -2.2343    0.1361 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