(3R)-3-tert-butyl-4-hydroxymorpholine

C8H17NO2 — CID 167169311

IUPAC(3R)-3-tert-butyl-4-hydroxymorpholine
SMILESCC(C)(C)[C@@H]1COCCN1O
InChIInChI=1S/C8H17NO2/c1-8(2,3)7-6-11-5-4-9(7)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRJMBHPCXGQZTNO-ZETCQYMHSA-N
MW159.23 g/mol
LogP1.12
Rot. Bonds

About (3R)-3-tert-butyl-4-hydroxymorpholine

(3R)-3-tert-butyl-4-hydroxymorpholine (PubChem CID 167169311) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R)-3-tert-butyl-4-hydroxymorpholine.

Molecular Properties

Compound Name(3R)-3-tert-butyl-4-hydroxymorpholine
PubChem CID167169311
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R)-3-tert-butyl-4-hydroxymorpholine
SMILESCC(C)(C)[C@@H]1COCCN1O
InChIInChI=1S/C8H17NO2/c1-8(2,3)7-6-11-5-4-9(7)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRJMBHPCXGQZTNO-ZETCQYMHSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-4-hydroxymorpholine?
The IUPAC name of (3R)-3-tert-butyl-4-hydroxymorpholine (CID 167169311) is (3R)-3-tert-butyl-4-hydroxymorpholine.
What is the SMILES notation for (3R)-3-tert-butyl-4-hydroxymorpholine?
The canonical SMILES for (3R)-3-tert-butyl-4-hydroxymorpholine is CC(C)(C)[C@@H]1COCCN1O.
What is the InChIKey of (3R)-3-tert-butyl-4-hydroxymorpholine?
The InChIKey is RJMBHPCXGQZTNO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)7-6-11-5-4-9(7)10/h7,10H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-4-hydroxymorpholine?
(3R)-3-tert-butyl-4-hydroxymorpholine has a molecular weight of 159.23 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-4-hydroxymorpholine is sourced from PubChem (CID 167169311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).