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
    2.9170    0.2293    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   -0.3186   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    0.4591    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924    1.6685    0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824   -0.0780   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -1.2614    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236    0.9983   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738    1.2566    0.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -0.3251    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461   -1.3499   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -0.5005   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2320   -1.4928    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955   -1.0721    1.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5139   -2.1011    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    0.6279   -0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6380    1.7167    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    1.5429   -1.3231 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