1,4-Dioxa-spiro[4.5]decan-8-ol

C₈H₁₄O₃CAS 22428-87-1158.20 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₈H₁₄O₃
Molar mass: 158.20 g/mol
Exact mass: 158.0943 Da
logP: 0.66Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22428-87-1

SMILES

C1CC2(CCC1O)OCCO2

InChIKey

HKQTYQDNCKMNHZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2

Weigh it out

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

Names and synonyms

1 names

1,4-Dioxaspiro(4.5)decan-8-ol

Work with 1,4-Dioxa-spiro[4.5]decan-8-ol

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

1,4-Dioxa-spiro[4.5]dec-8-ylamine97096-16-752 % similar 1,4-Cyclohexanedione bis(ethylene ketal)183-97-150 % similar 4-Cyanocyclohexanone cyclic ethylene acetal69947-09-746 % similar 4,4-Difluorocyclohexanol22419-35-844 % similar 4,4-Dimethylcyclohexan-1-ol932-01-444 % similar Tetrahydro-4H-pyran-4-ol2081-44-943 % similar 4-(1,4-Dioxa-spiro(4.5)dec-8-yl)-cyclohexanone56309-94-542 % similar 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butyric anhydride106-31-0 Ethyl 5-oxohexanoate13984-57-1 tert-Butyl acetoacetate1694-31-1 Methyl 4-hydroxycyclohexanecarboxylate17449-76-2 Ethoxyethyl methacrylate2370-63-0 Ethyl 3-oxohexanoate3249-68-1 Methyl 3-oxoheptanoate39815-78-6 Methyl 4,4-dimethyl-3-oxopentanoate55107-14-7

Elsewhere

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