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
2.8962 -0.0022 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8095 0.0172 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 -0.3338 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4658 -0.6553 -1.6763 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6949 -0.3117 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9832 1.0513 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9017 -0.7347 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 0.2606 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -0.2807 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8478 0.2986 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6301 -1.0474 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1228 1.7271 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 0.9342 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7945 1.5536 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 -0.0577 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6241 -0.6654 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2613 -1.7538 -0.1695 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