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
   -2.8941   -1.3968    0.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -1.3105    1.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215   -0.2005    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.0502    0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5290    2.1079   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -0.0465    0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271   -0.3717   -0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267   -0.2496   -0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766    0.4346    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253   -1.0677    0.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3274   -1.2204    1.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617   -1.1088    2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -2.2702    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3026   -0.5394   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4851    1.1005    1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    2.1090   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548    3.0619   -0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6631   -1.4526   -1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996    0.1934   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643   -0.2757   -1.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    0.7046    1.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082    0.7480   -0.0730 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