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
    2.4875   -0.3562    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    0.3305   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -0.2170   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.5076   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    1.6950   -0.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.0748   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3134   -1.2837    0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083    0.3827    0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.5971   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    1.3335   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281   -1.2248    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -0.0076   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322   -1.0795    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.5914    0.4344 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