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
   -2.8986   -2.0666    0.2764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6956   -1.6328    0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990   -0.4768    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789    0.6958   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450    1.9048    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -0.1596    0.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191   -0.3142   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -0.0089    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.9949   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7508    1.2647    0.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6762   -1.5510    0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8124   -1.3512    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9679   -2.4777    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -0.7605   -1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    0.5591   -0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768    2.7744   -0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    2.0596    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8911    0.3838   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243   -1.3532   -0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -0.8760    0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    0.8888   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    1.5027   -1.3997 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