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
    2.8986   -0.4811   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6234   -0.6094   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6498    0.3908   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    1.3776    0.4578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    0.2221   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863    1.3894   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3686   -1.0462   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -1.2096   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627    0.3688    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283   -1.5004   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    0.2441   -1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216    1.6649   -0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745    1.0804    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    2.2375    0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549   -1.7712   -0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579   -1.4541    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3969   -0.9034    0.3925 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