chempirical

(R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde

C9H14O3CAS 78008-36-3170.21 g/mol

Open in Covalent MOL file
OOO
AcetalAldehydeEther

Properties

Molecular formula
C9H14O3
Molar mass
170.21 g/mol
Exact mass
170.0943 Da
logP
1.26Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78008-36-3
SMILES
C1CCC2(CC1)OC[C@@H](O2)C=O
InChIKey
FFGZPNNLXMQFMO-QMMMGPOBSA-N
InChI
InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (R)-1,4-Dioxaspiro(4.5)decane-2-carboxaldehyde

Work with (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde

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

(R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-850 % similar (4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde22323-80-450 % similar Glycidaldehyde765-34-438 % similar 1,1-Bis(1-methylethoxy)cyclohexane1132-95-234 % similar Dlin-kc2-dma1190197-97-734 % similar Tetrahydro-2-furancarboxaldehyde7681-84-733 % similar 1,1-Bis[(prop-2-en-1-yl)oxy]cyclohexane53608-84-732 % similar 1,1-Diethoxycyclohexane1670-47-931 % similar

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

Same formula

2-Furfural diethyl acetal13529-27-6 Ethyl 2-oxocyclohexanecarboxylate1655-07-8 Ethyl 4-oxocyclohexanecarboxylate17159-79-4 Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-2 Ethyl 2-(2-oxocyclopentyl)acetate20826-94-2 Tetrahydrofurfuryl methacrylate2455-24-5 Ethyl 3-oxocyclohexanecarboxylate33668-25-6 (1R,4R)-Methyl 4-formylcyclohexanecarboxylate54274-80-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook