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
   -2.6660   -1.5904    0.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614   -0.7804   -0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.0927   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720    0.7494    0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258    1.9941    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -1.0757    0.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086   -1.0321   -0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9409    0.2792   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    0.2553    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2032    0.5729    1.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -2.1262    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -1.3905   -1.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900   -0.0024   -1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145    0.5480   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634    0.3395    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    2.4441   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1777    2.5831    1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123   -1.8850    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078   -1.1831   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755    1.0920   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9987    1.0860    0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481   -0.7848    0.4876 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