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
   -2.3802   -0.7408    1.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -0.9697    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    0.1730   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904    1.3632   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912    2.5597    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2675   -0.1698   -1.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -0.1881   -1.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -1.1437   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539   -0.5724    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -1.0762    1.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6947   -1.6339    1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -1.8777    0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516   -1.1321   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    0.4111    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7098    1.2503   -0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463    2.6966    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669    3.4745   -0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    0.8486   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706   -0.4982   -2.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -2.1338   -0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -1.1513    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.5107    0.6560 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