Monomers

Pent-3-en-2-one

Identifiers

IUPAC name
pent-3-en-2-one
InchI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InchI Key
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
CC=CC(=O)C
Canonical SMILES
CC=CC(=O)C
Isomeric SMILES
CC=CC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.5141   -0.0876    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -0.1051    0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.0188   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.0072    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -0.1461    1.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    0.1313   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -0.2991   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004    0.8817    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -0.8633    0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -0.2264    1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    0.1380   -1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508   -0.6342   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.0872   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    1.1120   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers