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
2.3718 0.3817 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 -0.8142 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4173 -1.0184 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0290 -2.1809 0.2562 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 0.0658 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9030 -0.4838 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 1.0598 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4034 0.5495 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7572 1.2252 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4693 -1.6467 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 0.6256 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -1.0081 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9418 -1.1237 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 0.3956 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7256 1.0946 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0080 0.7870 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4524 2.0910 0.6492 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