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
2.8295 0.8874 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5336 0.9606 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6946 -0.2211 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2099 -1.3086 -0.2906 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7624 -0.2014 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5151 0.7477 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3566 -1.5810 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4905 1.7358 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2668 -0.0517 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1357 1.9170 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8732 0.1157 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5883 0.4610 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1552 0.6407 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3544 1.8112 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5963 -2.0327 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3047 -1.5773 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6545 -2.3034 -0.2788 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