3,7-Diethylnonane-4,6-dione

C13H24O2CAS 872802-98-7212.33 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C13H24O2
Molar mass
212.33 g/mol
Exact mass
212.1776 Da
logP
3.39Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
872802-98-7
SMILES
CCC(CC)C(=O)CC(=O)C(CC)CC
InChIKey
MFELLNQJMHCAKI-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O2/c1-5-10(6-2)12(14)9-13(15)11(7-3)8-4/h10-11H,5-9H2,1-4H3

Weigh it out

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

Names and synonyms

1 names
  • 3,7-Diethyl-4,6-nonanedione

Work with 3,7-Diethylnonane-4,6-dione

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

2-Ethylcyclopentane-1,3-dione823-36-948 % similar 2-Ethylbutyryl chloride2736-40-546 % similar 2-Ethylbutanoic acid88-09-546 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-645 % similar 4-Hydroxy-3-hexanone4984-85-441 % similar Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-940 % similar Methyl β-oxocyclopropanepropanoate32249-35-738 % similar Ethyl 3-cyclopentyl-3-oxopropanoate24922-00-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Citronellyl propionate141-14-0 Decyl acrylate2156-96-9 2-Decyl acrylic Acid52756-21-5 1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol64190-52-9 Ethyl 10-undecenoate692-86-4

Elsewhere

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