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
    2.9610    0.3455    1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057   -0.2503    1.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -0.0039   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -0.3487   -1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.5523   -1.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164   -0.5592   -0.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    0.3301   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -0.4558   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4735   -0.2601    1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522    0.2237   -0.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -0.0187    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368    0.2759    2.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -1.3254    1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    1.1163   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.3753   -1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105    0.2793   -2.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869    1.6050   -1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279    1.0721    0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.9381   -1.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5797   -1.4633   -0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013    0.5224    1.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9303   -1.1999    1.5875 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