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
   -2.9155   -0.5891   -1.1307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9705   -1.3359   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925   -0.3617    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872    0.7337    0.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    1.9785    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705   -1.0649    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -1.0511    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    0.3335   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2404    0.5974    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116    1.1370    0.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6965   -1.1547   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -1.6989    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641   -2.1780   -0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465    0.0354   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388    0.5151    1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808    2.2092   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    2.8180    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412   -1.6780    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360   -1.5091   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177    0.8423   -1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695   -0.0030    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    1.4245   -0.4060 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