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
   -2.2857    0.6320    0.9603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962    0.2210    1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990   -0.6894    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323   -1.9196    0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -2.2142    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -0.0133   -0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026    0.1574   -1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487    0.9283   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289    2.1342   -1.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801    2.2636   -0.2544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    0.6978   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204    1.1638    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -0.2807    2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.0219    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -2.6301   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8126   -3.1256    0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398   -1.5303    1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    0.7918   -2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981   -0.7775   -1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941    0.3845    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    2.4464   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652    2.3817   -2.1131 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