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
    1.4174    0.6055   -1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    1.3617   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937    1.0263    0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    1.8029    1.7038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847   -0.1684    0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444   -1.4388    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489   -0.1446   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415   -0.2888   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1803    0.8479   -2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999    2.2375   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -0.1776    1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617   -2.1063   -0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113   -1.1535    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -2.0383    1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108    0.7365   -1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -1.0464   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -0.0555   -0.3053 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