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
   -0.8712    2.5587    0.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.4292    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    0.1750    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -0.9342    0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9733   -1.3537   -0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822   -0.1671    0.4690 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1352   -0.3272   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -0.7020    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694    0.1242    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4746   -0.8803   -0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832    2.5962   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236    1.5932    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    1.2606    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.2798   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291   -1.4125    1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6078   -2.1549   -0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005   -0.9214   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -1.1950   -1.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    0.5937   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -1.6427    0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -0.0911    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    1.1715   -0.1764 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