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

C10H21NO — CID 130396669

IUPAC(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine
SMILESC[C@@H]1COC(C)(C)N1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-7-12-10(5,6)11(8)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyLQDNOVSLUSEDTP-MRVPVSSYSA-N
MW171.28 g/mol
LogP2.24
Rot. Bonds

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

(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine (PubChem CID 130396669) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine
PubChem CID130396669
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine
SMILESC[C@@H]1COC(C)(C)N1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-7-12-10(5,6)11(8)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyLQDNOVSLUSEDTP-MRVPVSSYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-4-tert-butyl-2,2,5-trimethylmorpholine
CID 168820806
2,2,4-trimethyl-3-pentyl-1,3-oxazolidine
CID 174478299
4-tert-butyl-3,6,6-trimethyl-1,4-oxazepane
CID 155000461
1,5-ditert-butyl-2,2,4,4,6,6,8-heptamethyl-1,5-diazocane
CID 146554020
4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 19385104
(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 172515568
1-tert-butyl-2-methylaziridine
CID 15557486
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 123470902
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 130397202
tert-butyl (4S)-4-[(E)-C-chloro-N-hydroxycarbonimidoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10378852

Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine?
The IUPAC name of (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine (CID 130396669) is (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine is C[C@@H]1COC(C)(C)N1C(C)(C)C.
What is the InChIKey of (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine?
The InChIKey is LQDNOVSLUSEDTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-7-12-10(5,6)11(8)9(2,3)4/h8H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine?
(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 130396669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).