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
   -0.4230   -3.0644   -0.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -2.0447   -0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1382   -0.6656   -0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -0.4152   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078    0.0178   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -0.6263    0.8128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879    0.2229    1.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298    1.6746    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.4183    0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    2.4991    1.9708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998   -2.9040    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742   -2.1240   -2.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -2.2124   -0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736    0.0586   -1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882   -0.6068   -2.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564    0.2179    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965    0.1937   -0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600    0.0595    2.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7475   -0.0515    1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261    2.1818    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    1.7916    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    3.3792    0.0670 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