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
2.9635 0.0079 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7314 -0.1435 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 0.4390 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7849 1.1212 1.5294 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 0.2484 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8060 0.9514 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 -1.2051 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8087 -0.4312 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1891 0.5957 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5675 -0.7263 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 0.6838 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7625 0.4028 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 0.8159 1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9028 2.0112 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9116 -1.6430 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -1.3036 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7376 -1.8247 0.7046 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