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
   -1.8878    1.5237   -0.6303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401    1.1773    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023   -0.2536    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -1.1940    0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -0.8460    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -0.4617   -0.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3229   -0.9869   -0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858   -0.0390    0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047    0.6224   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.4584    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863    2.4183   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351    1.8159    0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6850    1.4378    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946   -0.5258    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940   -2.2269    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8869   -1.5713    0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3744    0.1796    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130   -1.1381   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008   -1.9679    0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    0.4951    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932    0.3660   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496    1.6335    0.3602 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