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
   -2.4859    0.0052    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462    0.6144    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812   -0.1305    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    0.3770    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    1.6122   -0.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681   -0.4772   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    0.1501   -0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803   -1.0568    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293    0.4484    1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1277    1.7072    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -1.2074    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606   -1.4435    0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    0.0699    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324   -0.6689   -1.1162 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