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

C9H19NO — CID 130656460

IUPAC(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-8(2,3)7-6-11-9(4,5)10-7/h7,10H,6H2,1-5H3/t7-/m0/s1
InChIKeyIIIAKMITIUXECB-ZETCQYMHSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds

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

(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine (PubChem CID 130656460) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
PubChem CID130656460
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-8(2,3)7-6-11-9(4,5)10-7/h7,10H,6H2,1-5H3/t7-/m0/s1
InChIKeyIIIAKMITIUXECB-ZETCQYMHSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine (CID 130656460) is (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine is CC1(C)N[C@H](C(C)(C)C)CO1.
What is the InChIKey of (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is IIIAKMITIUXECB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)7-6-11-9(4,5)10-7/h7,10H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine?
(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 130656460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).