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
    2.8956    0.2103   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579    0.2111   -0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -0.3619    0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -0.8620    1.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -0.3585   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357   -1.0307    0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835    1.0793   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1452   -0.2268    0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    0.6444   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953    0.6401   -1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150   -0.8974   -1.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211   -1.3643    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -0.2344    1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -1.8322    1.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6089    1.7581    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    1.4482   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474    1.1766   -0.0630 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