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
2.9637 -0.0397 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7502 -0.3454 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 0.4550 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7217 1.4792 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7634 0.0801 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -1.2799 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7871 1.1317 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0811 0.8566 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8350 -0.6023 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6808 -1.2501 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 0.0376 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -1.8219 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6437 -1.8662 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0214 -1.1235 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 1.9865 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 1.6058 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5696 0.6966 0.5068 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