(4S)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane

C₆H₁₁ClO₂CAS 60456-22-6150.60 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₆H₁₁ClO₂
Molar mass: 150.60 g/mol
Exact mass: 150.0448 Da
logP: 1.38Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P303+P361+P353, P305+P354+P338, P317, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

60456-22-6

SMILES

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

InChIKey

BNPOTXLWPZOESZ-RXMQYKEDSA-N

InChI

InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(S)-(-)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane

Work with (4S)-4-(Chloromethyl)-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.

(R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-3Enantiomer 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-7Stereo not defined

Similar compounds

Solketal100-79-856 % similar (R)-Solketal14347-78-556 % similar (+)-Solketal22323-82-656 % similar (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-552 % similar 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-752 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-343 % similar (R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-842 % similar (4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde22323-80-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl chloroacetate107-59-5 Methyl 5-chloropentanoate14273-86-0 Chloromethyl pivalate18797-19-8 Chloromethyl pivalate18997-19-8 (S)-2-Chloro-4-methyl-N-valeric acid28659-81-6 Ethyl 4-chlorobutyrate3153-36-4 6-Chlorohexanoic acid4224-62-8

Elsewhere

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