(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane

C₇H₁₄O₃CAS 32233-43-5146.19 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₇H₁₄O₃
Molar mass: 146.19 g/mol
Exact mass: 146.0943 Da
logP: 0.52Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

32233-43-5

SMILES

CC1(OC[C@@H](O1)CCO)C

InChIKey

YYEZYENJAMOWHW-LURJTMIESA-N

InChI

InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names

2-((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-ol

Work with (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-7Stereo not defined

Similar compounds

Solketal100-79-863 % similar (R)-Solketal14347-78-563 % similar (+)-Solketal22323-82-663 % similar 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-752 % similar (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-352 % similar (4S)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane60456-22-652 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-345 % similar (2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 Butyl (2S)-2-hydroxypropanoate34451-19-9

Elsewhere

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