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
    1.8617    0.6227    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5762    0.0397   -0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.4442   -1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829   -0.9988   -2.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223   -0.3453   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6080   -1.1260    0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    1.0762    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608    0.9533    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.7772    1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791   -0.0896   -1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8254   -0.7557   -0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -1.5126    0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297   -0.5206    1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954   -1.9940    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    1.1859    1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110    1.8037   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    1.3280   -0.3207 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