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
   -2.4783   -0.2288    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675    0.4890    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.1566    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    0.5095    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    1.7253    0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739   -0.2019   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3328    0.4763    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092   -0.8735    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -0.9038   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945    1.5270    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0864   -1.2025   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -0.2496   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3368    0.3370    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4829   -1.2474    0.1274 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