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
2.3206 0.1449 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -0.9878 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2742 -1.0753 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3007 -2.1813 0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5101 0.0840 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5000 1.2434 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9444 -0.3496 -0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8051 1.0204 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3842 0.1974 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 -1.8366 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1014 0.4153 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 2.1775 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 1.3902 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1512 1.0484 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8757 -0.9786 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4935 0.5604 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3668 -0.8727 0.2051 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