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
   -1.8485   -1.2678   -1.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -0.1459   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.1532    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -1.3778    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247   -1.6015    1.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.0734   -0.3788 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.0708   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    0.9949   -0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5178    1.3068   -0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.0677   -0.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5732   -2.0111   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712   -0.1906   -0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370    0.7930   -1.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274    0.7136    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -2.1005    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888   -2.5002    2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485   -0.8983    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596    1.1169    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    2.0054   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    1.3071   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    1.3907    0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2865    1.6885   -1.1999 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