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
    2.5026   -0.0643   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166   -0.4140   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741    0.1205    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942   -0.2279   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956   -1.0612   -1.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4474    0.3651    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    0.8913   -0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.0412    0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347   -0.8373   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -1.1321   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.8458    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.9113    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -0.4730    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946    1.0346   -0.3506 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