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
2.9129 0.1851 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6785 0.1919 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6061 -0.3315 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8914 -0.7892 1.3745 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8115 -0.3301 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6854 -0.9381 0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2659 1.0915 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1426 -0.2160 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7534 0.5608 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 0.5871 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 -0.9218 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5015 -2.0471 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7463 -0.6901 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2578 -0.6137 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2852 1.0215 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4042 1.6520 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 1.5877 -1.1976 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