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
    2.4748    0.1748    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403   -0.3104   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0339    0.0869    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810   -0.3737   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -1.1830   -1.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461    0.1233    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    0.5771   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158   -0.7059    0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    0.9744    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493   -1.0030   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434    0.7870    1.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    0.2797    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3149   -0.5602    0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930    1.1331    0.2437 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