2,2-Bis[2-[4(S)-tert-butyl-1,3-oxazolinyl]]propane
Properties
- Molecular formula
- C17H30N2O2
- Molar mass
- 294.44 g/mol
- Exact mass
- 294.2307 Da
- Melting point
- 82 °C
- logP
- 3.70Crippen estimate
- Polar surface area
- 43.2 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
- Stereocentres
- S, 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 42 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
131833-93-7SMILES
CC(C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1InChIKey
DPMGLJUMNRDNMX-VXGBXAGGSA-NInChI
InChI=1S/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Oxazole, 2,2′-(1-methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4′S)-
- Oxazole, 2,2′-(1-methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydro-, [S-(R*,R*)]-
- (4S,4′S)-2,2′-(1-Methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydrooxazole]
- 2,2-Bis((S)-4-tert-butyl-2-oxazolin-2-yl)propane
- Isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]
- (S,S)-2,2′-Isopropylidenebis[4-tert-butyl-2-oxazoline]
- (S)-2,2′-Isopropylidenebis(4-tert-butyl-2-oxazoline)
- 2,2-Bis((4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)propane
- (S,S)-t-BuBox
- t-Bu-box, (S,S)-
Work with 2,2-Bis[2-[4(S)-tert-butyl-1,3-oxazolinyl]]propane
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.
Similar compounds
(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-047 % similar
(R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-447 % similar
(S)-(-)-4-tert-Butyl-2-oxazolidinone54705-42-931 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.