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

C10H21NO — CID 95562197

IUPAC(2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine
SMILESCN1[C@H](C(C)(C)C)OCC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2,3)8-11(6)10(4,5)7-12-8/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeySQHFTLCBKHQWQE-QMMMGPOBSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds

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

(2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine (PubChem CID 95562197) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine
PubChem CID95562197
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine
SMILESCN1[C@H](C(C)(C)C)OCC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2,3)8-11(6)10(4,5)7-12-8/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeySQHFTLCBKHQWQE-QMMMGPOBSA-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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Related Compounds

(4R)-2-tert-butyl-3,4-dimethyl-1,3-oxazolidine
CID 146186356
2,4,5,5-tetramethylmorpholine
CID 130737621
methyl 2-[(2R,4R)-2-tert-butyl-3-(2-methoxy-2-oxoethyl)-4-methyl-1,3-oxazolidin-4-yl]acetate
CID 70997189
3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
CID 135143589
methyl (3R,6S,7R,7aR)-3-tert-butyl-6,7-dihydroxy-6-methyl-5-oxo-3,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 10565202
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
CID 51349597
methyl (3R,6R,7S,7aR)-3-tert-butyl-7-hydroxy-6-(hydroxymethyl)-7-methyl-5-oxo-3,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 46704327
methyl (3S,6S,7aR)-3-tert-butyl-6-methyl-5-oxo-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 10967072
methyl (7aR)-3-tert-butyl-5-oxo-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 70026292
6-tert-butyl-1,5,7-trioxaspiro[2.5]octane
CID 10654770
3,10-ditert-butyl-2,4,9,11,13-pentaoxadispiro[5.0.57.16]tridecane
CID 10590344
2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane
CID 12685498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine (CID 95562197) is (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine is CN1[C@H](C(C)(C)C)OCC1(C)C.
What is the InChIKey of (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is SQHFTLCBKHQWQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)8-11(6)10(4,5)7-12-8/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine?
(2S)-2-tert-butyl-3,4,4-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 (2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 95562197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).