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

C₉H₁₄O₃CAS 78008-36-3170.21 g/mol

Open in Covalent MOL file

Acetal Aldehyde Ether

Properties

Molecular formula: C₉H₁₄O₃
Molar mass: 170.21 g/mol
Exact mass: 170.0943 Da
logP: 1.26Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

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