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
   -2.9952   -1.2353    0.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182   -1.2609    0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755   -0.2668    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6146    1.0582    0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244    1.9819   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657   -0.1350    0.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969   -0.4080   -0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -0.2000   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771    0.1002    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.1828   -0.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872   -1.3024   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4989   -1.0452    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770   -2.2840    0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -0.5918   -0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772    1.2663    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0940    2.9435   -0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571    1.7693   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644    0.2938   -1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -1.4236   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321   -0.5007   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -0.0572    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083    0.1148    1.5586 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