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
   -2.2511   -0.8168    1.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -1.0714    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654   -0.1618   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646    1.1975   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912    1.4127   -0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -0.1149    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319   -0.4569   -0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277   -0.3370    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432    0.4600   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027    1.0118    0.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896   -1.5835    2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9144   -0.9430   -0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -2.1504    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -0.5074   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    2.0529    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544    2.3796   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1894    0.5886   -1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4121    0.3193   -1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -1.4202   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -1.0472    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    0.9727   -1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    0.2154    0.3260 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