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
    2.7225   -0.3229   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.2033   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5956    0.0714    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443    0.1892    1.6349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769    0.2204    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -1.0912   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    1.3196   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691   -0.2135    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029   -0.5279   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9719   -0.3066   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609    0.4357    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472   -1.5088   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518   -0.9381   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -1.7903    0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    1.0296   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540    1.3632   -0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011    2.2734   -0.2183 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