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
    2.0797   -0.0354   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2582    0.0519    0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455    0.0586    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -0.0257   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377   -0.1038   -1.4133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -0.0217   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335    0.8548   -1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699    0.0055   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8829   -0.9382   -0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022    0.1180    1.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5422    0.1276    1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7071    0.9897   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273   -0.7037    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.3776   -1.2700 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