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
   -2.3967    2.1196   -0.9421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    1.6385    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.5848   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557   -0.5785   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007   -1.3409    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762    0.1624    0.7336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    0.3588    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597   -0.4030   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872   -1.4875   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3670   -0.2280   -0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506    1.8874   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156    1.1121    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082    2.4796    0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134    1.0082   -1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144   -0.8103   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8827   -1.1662    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -2.1955   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038    1.4298    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9603    0.0360    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496   -0.5240   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679   -1.8201    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943   -2.2634   -1.1517 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