chempirical

6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione

C8H10O4CAS 5617-70-9170.16 g/mol

Open in Covalent MOL file
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AcetalEsterLactone

Properties

Molecular formula
C8H10O4
Molar mass
170.16 g/mol
Exact mass
170.0579 Da
logP
0.60Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5617-70-9
SMILES
CC1(C)OC(=O)C2(CC2)C(=O)O1
InChIKey
AXJVPXNVESYGDT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
  • 5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-
  • 1,1-Cyclopropanedicarboxylic acid, cyclic isopropylidene ester
  • 2,2-Propanediol, cyclic 1,1-cyclopropanedicarboxylate
  • 1,1-Cyclopropanedicarboxylic acid, cyclic 1-methylethylidene ester
  • 6,6-Dimethyl-5,7-dioxaspiro[2.5]octan-4,8-dione

Work with 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-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

Dimethyl 1,1-cyclopropanedicarboxylate6914-71-252 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-048 % similar Meldrum's acid2033-24-146 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-140 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-039 % similar 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-038 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-338 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-638 % similar

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

Same formula

2,6-Dimethoxyhydroquinone15233-65-5 1,4-Diacetoxy-2-butyne1573-17-7 γ-Butyrolactone methacrylate195000-66-9 Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-2 Ethylene glycol diacrylate26570-48-9 4-Acetoxy-2,5-dimethyl-3(2H)furanone4166-20-5 Diethyl squarate5231-87-8 Diethyl acetylenedicarboxylate762-21-0

Elsewhere

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