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
   -0.8786    2.1452   -0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009    1.1862   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   -0.1821   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -1.1852    0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1428   -0.8392    0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534   -0.1589    0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564   -0.4817   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176   -0.4850    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    0.4012   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -0.8472   -0.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    2.4725    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    1.4820    1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6611    1.1640   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936   -0.4549   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -2.2247    0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8127   -1.5919    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    0.1976    1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5252   -0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723    0.2450   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446   -1.2003    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4238    0.5799    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    1.3026   -0.6200 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