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
2.9437 -0.4149 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.1600 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5302 -0.5083 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 -1.6795 0.4026 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 0.1085 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8716 -0.8622 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 1.3636 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8646 0.1258 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9983 -1.4168 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8365 1.1648 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 0.3164 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8184 -1.7566 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 -1.1971 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8510 -0.3688 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0277 1.7443 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2285 1.0798 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2884 2.1412 0.2744 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