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
   -2.8567    1.6355    0.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5807    1.3093    0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269    0.1671    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9684   -0.9796    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915   -1.7984   -0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136   -0.2474    0.4052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780   -0.1498   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818   -0.6583    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.2868   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    0.0665    1.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2711    2.3228    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701    2.2316    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6769    1.0953    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9892    0.5145   -1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -1.1029    1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8883   -2.6147   -0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6653   -1.6117   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    0.9194   -0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -0.8017   -1.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790   -1.7464    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823   -0.1133   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799    1.2753   -0.5499 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