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
    2.1289    1.6181   -0.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287    0.3280   -1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221   -0.4896   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -0.6682    0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    0.3545    1.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774    0.1585   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -0.5577   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    0.2817   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3938   -0.1572    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381   -0.2228   -0.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    2.1686   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8633   -0.1534   -1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925    0.4015   -2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -1.4651   -0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -1.6463    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336    1.3512    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458    0.2118    2.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0466   -0.8184   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -1.5000   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    1.3679   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643   -1.1718    1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463    0.6087    1.2496 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