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
   -0.8572   -1.3085    1.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -0.6362    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785    0.5609    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    1.3220   -0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229    0.8630   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1198    0.0627   -0.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.4856   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280   -0.1403   -0.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -1.1056   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7510    0.3141   -0.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8733   -2.2809    1.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9059   -1.3303   -0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134   -0.3216    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    1.2310    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281    2.2685   -1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -0.0924   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8183    1.4199   -1.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    1.5877   -0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    0.1306    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    0.1682   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9353   -1.7183   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323   -1.4800    0.5664 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