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
   -3.1813   -0.4868   -0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8891   -0.5112   -1.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538   -0.0012   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387    1.2638    0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462    1.6747    1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    0.0354   -0.5572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854   -0.8327    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.6718   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    0.2194   -1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953    0.5628   -0.3567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550   -1.3450   -0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559    0.0719   -2.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778   -1.5748   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0043   -0.7700    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0741    1.9076   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    2.6042    2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122    1.0638    2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293   -0.4818    1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -1.8866    0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958   -1.5382   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    0.7571   -1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.0606   -2.4008 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