(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine

C10H21NO — CID 59911446

IUPAC(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@@H](C(C)(C)C)COC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2,3)8-7-12-10(4,5)11(8)6/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyYFTKXTYRLDWPME-MRVPVSSYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds

About (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine

(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 59911446) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID59911446
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1[C@@H](C(C)(C)C)COC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2,3)8-7-12-10(4,5)11(8)6/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyYFTKXTYRLDWPME-MRVPVSSYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine (CID 59911446) is (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine is CN1[C@@H](C(C)(C)C)COC1(C)C.
What is the InChIKey of (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is YFTKXTYRLDWPME-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)8-7-12-10(4,5)11(8)6/h8H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine?
(4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 59911446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).