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
   -1.3651   -2.2839    0.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330   -1.7881   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710   -0.3121   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0549    0.4052    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    1.3808    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -0.0815    0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683    0.5376   -0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.8371   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.5340    0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -0.4445   -0.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879   -2.4003    1.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5857   -2.3742   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343   -1.9416   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443    0.0390   -1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633    0.0540    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229    1.7329    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535    1.8507    1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5603    1.4752   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.1274   -1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696    1.4370   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754    1.0826    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    0.3877    1.7174 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