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
   -0.4607    2.0561    1.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380    1.2327    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784    0.1217   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2555   -0.6316   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -1.8950   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -0.6879    0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068   -0.9271   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    0.2443   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791    0.2338    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    0.9325    0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6538    3.0122    1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816    0.7664    1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.8724    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5604    0.5229   -1.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576   -0.0756   -1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3191   -2.4053   -0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -2.4566    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193   -1.5746   -1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -1.5917    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    0.9874   -1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387   -0.6785    0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    0.9414   -0.3507 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