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
   -0.3315   -1.8888   -0.9878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -1.1741   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -0.0505    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282    0.7194    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5765    1.7576    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951    0.7388   -0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.9934    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -0.2570    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298   -0.5741   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -0.0407    0.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106   -2.8448   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880   -0.6856   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1466   -1.8259    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -0.4240    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6074    0.3921    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    2.3017    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065    2.1075   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    1.6330    0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747    1.5782   -0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -1.1187    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -1.5698   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640    0.2323   -1.3823 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