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
    1.9909    0.2743    0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -0.5271   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224   -0.5569   -0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    0.2092    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016    0.9205    1.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772    0.1491    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831   -0.0240    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    1.3523    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    0.1878    0.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8515   -1.1074   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257   -1.1570   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437    0.9740    0.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490    0.1546   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5704   -0.8495    0.5843 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