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
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
2.7930 0.2335 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4839 0.1909 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6154 -0.1464 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -0.4029 1.8721 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8605 -0.1891 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4269 1.1449 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2963 -1.2473 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 0.0187 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4218 0.4850 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 0.4135 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 -0.4379 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 1.4886 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6678 1.9351 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8905 1.0563 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6916 -2.1452 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 -0.8398 -1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4068 -1.5576 -0.9510 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