Monomers

1-Penten-3-one, 4-methyl-

Identifiers

IUPAC name
4-methylpent-1-en-3-one
InchI
InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
InchI Key
SNOYUTZWILESAI-UHFFFAOYSA-N
SMILES
C=CC(=O)C(C)C
Canonical SMILES
CC(C)C(=O)C=C
Isomeric SMILES
CC(C)C(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
17.07
MolLogP
1.3975
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.2251   -0.7753    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699    0.2213   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189    0.7783   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    1.7352   -1.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480    0.2522    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7974    1.0804    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855   -1.1886    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598   -1.2435    1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.1497    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    0.6540   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909    0.2940    1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    1.8174    1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501    1.6943   -0.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7197    0.4984    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -1.2955   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369   -1.5552   -0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525   -1.8179    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers