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
2.7840 0.2655 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 0.2179 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6883 -0.1733 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 -0.4752 1.5813 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 -0.2335 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4180 1.1067 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3173 -1.2062 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 0.0016 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 0.5501 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 0.4774 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1269 -0.5698 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 1.8207 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.9125 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0464 1.5519 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7447 -1.0578 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2855 -2.2573 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3855 -0.9311 -0.6270 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