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
    2.7661   -0.2580   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932   -0.5191   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6985    0.0130    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    0.7135    1.1499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7564   -0.2621    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    0.3900    1.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704    0.1986   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179    0.3365   -0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -0.6381   -1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556   -1.1181   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767   -1.3765    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011    1.4819    1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -0.0309    2.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    0.2131    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477   -0.0618   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399    1.2961   -1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153   -0.3780   -1.8050 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