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
2.9323 -0.0826 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 0.2694 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6027 -0.4098 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -1.3712 -0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8275 -0.0870 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1761 1.3055 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7365 -1.0473 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1626 -0.8991 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7858 0.4060 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 1.0829 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 -0.2286 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5571 2.0793 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 1.3751 -1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2625 1.4484 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7324 -1.0701 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8862 -0.7194 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2645 -2.0515 -0.5267 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