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
    0.5579    0.0589    2.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804   -0.4769    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299   -0.0273   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.4458   -1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -0.0064   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187   -0.5172   -0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2392    0.3645   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -0.4505   -0.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222   -0.5418    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.2261   -0.8926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050    0.0759    3.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4948   -0.1548    1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -1.6017    1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975    1.0828   -0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -1.0738   -1.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    0.6364   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0953   -0.2724   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635    1.0362   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228    1.0246    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492   -1.3721   -1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1732   -1.4299    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5465    0.0896    1.2284 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