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
   -1.8505   -2.0265   -0.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.6602   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -0.0090    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    1.4433    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1731    2.0175    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617   -0.2818   -0.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -1.0168   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127   -0.2669    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    0.3863    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619   -0.8325    1.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5401   -2.5576    0.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815   -0.5014    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518   -0.2413   -1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201   -0.4249    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1532    2.0798    0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002    1.3946    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301    3.0777    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -2.0478   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -1.1620   -1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3723    0.2289    1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160    1.2630    1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9055    0.1373   -0.4222 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