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
   -2.2897    0.2099   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    0.2043   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077   -0.8532   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366   -0.7336    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -1.7818    0.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    0.5343   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6976    0.3556    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -0.8308   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426    0.9506   -1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179    1.1358   -0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -1.7601    0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344    1.3613    0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    0.8581   -1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268    0.3496   -0.1927 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