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
    2.2288   -0.4338    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7937   -0.6880   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -0.2603   -0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428   -0.5326   -2.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285    0.5236   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983    0.8805   -0.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771   -0.3308    1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    0.1414    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016   -0.7912    1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -1.2631   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665    1.4420    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702    1.7405   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4619    1.0577   -1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0274   -0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    0.2900    1.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -0.5292    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2735   -1.2742    1.1034 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