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

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
    2.9082   -0.3318    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -0.4563   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120    0.4325    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    1.3643    0.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    0.2301   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    1.2608   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773   -1.1377   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309    0.4597    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260   -0.9990    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -1.2588   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943    0.3343   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599    0.8976    0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348    1.3770   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    2.2534    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6291   -1.5718   -1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1701   -1.0602    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -1.7941    0.2922 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