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
    1.3269   -2.1791    0.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -0.8951   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952    0.0859    0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160    1.4768    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286    1.7079   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    0.0638   -0.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224   -0.2600    0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -0.3017    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0190    0.1773   -1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401   -1.2784   -0.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5809   -2.5205    0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018   -0.8284    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018   -0.6659   -1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -0.1551    1.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536    2.2719    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    0.9345   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604    2.7298   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.2405    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308    0.4712    1.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5148   -0.3834    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    0.4587   -1.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880    0.3302   -1.2907 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