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
   -2.4237    1.6496   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6626    0.9942   -1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.1299   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.7268    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.2481    1.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -0.5303   -1.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480   -0.1105   -1.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231   -0.1708   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729   -1.0340    0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    0.4665    0.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1688    1.1073    0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1663    1.7510   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239    0.3156   -1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.8984    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -1.7647    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3161   -0.8658    2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.7785    2.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    0.9145   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.7564   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    0.0224   -0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2051   -1.4027    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3096   -1.4179    1.1865 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