2,2,7-Trimethyl-3,5-octanedione

C₁₁H₂₀O₂CAS 69725-37-7184.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
logP: 2.61Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

69725-37-7

SMILES

CC(C)CC(=O)CC(=O)C(C)(C)C

InChIKey

KEBPOWLGOOTMPK-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O2/c1-8(2)6-9(12)7-10(13)11(3,4)5/h8H,6-7H2,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3,5-Octanedione, 2,2,7-trimethyl-

Work with 2,2,7-Trimethyl-3,5-octanedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1-Trifluoro-6-methyl-2,4-heptanedione461-92-767 % similar Isobutyl ketone108-83-856 % similar 6-Methyl-2,4-heptanedione3002-23-153 % similar 2,6,8-Trimethyl-4-nonanone123-18-244 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-442 % similar Methyl 4,4-dimethyl-3-oxopentanoate55107-14-739 % similar 4-Methyl-1-phenyl-2-pentanone5349-62-239 % similar Ethyl pivaloylacetate17094-34-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook