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
   -2.1092    1.4984    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159    0.1447    1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242   -0.1088    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.4972   -1.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559   -0.1444   -1.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2513    0.3065    0.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142   -0.6603    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    0.0140    0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.1100   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6797   -0.8995    0.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550    1.6801    2.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -0.4147    2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0096   -0.1881    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772   -1.2107   -0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    1.4809   -1.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7927   -1.1416   -1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566    0.2952   -2.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -1.0438   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -1.4678    1.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    0.6685    1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    0.9431   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980   -0.3588   -1.3173 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