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
   -1.5420    2.3306    0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    1.2684   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505    0.0061   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896   -0.4999    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972   -1.1722    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.2328    0.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.5874   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -0.3990    0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    0.1453   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337   -1.1556    0.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    2.3173    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    1.5860   -1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475    1.0882   -1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -0.7599   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -0.3563    1.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835   -1.5643    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -1.3674   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561   -0.4843   -1.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -1.6441    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727   -0.0897    1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3494    0.8724    0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786    0.2331   -1.4194 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