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
2.7131 -0.3021 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 -0.1653 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -0.0652 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -0.1072 1.9343 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8751 0.0897 0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4579 -1.1061 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1573 1.3804 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1918 -0.3406 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3477 -0.3796 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9774 -0.1322 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3204 0.1596 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0536 -1.7430 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6628 -1.7737 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -0.7220 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5158 1.1899 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2644 2.0347 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 1.9826 0.5476 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