(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane

C14H27NO2 — CID 130396673

IUPAC(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESC[C@@H]1CC2(CN1C(C)(C)C)OCC(C)(C)CO2
InChIInChI=1S/C14H27NO2/c1-11-7-14(8-15(11)12(2,3)4)16-9-13(5,6)10-17-14/h11H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyPQZHWZHONCVBSX-LLVKDONJSA-N
MW241.37 g/mol
LogP2.65
Rot. Bonds

About (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane

(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane (PubChem CID 130396673) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
PubChem CID130396673
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
SMILESC[C@@H]1CC2(CN1C(C)(C)C)OCC(C)(C)CO2
InChIInChI=1S/C14H27NO2/c1-11-7-14(8-15(11)12(2,3)4)16-9-13(5,6)10-17-14/h11H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyPQZHWZHONCVBSX-LLVKDONJSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane (CID 130396673) is (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane is C[C@@H]1CC2(CN1C(C)(C)C)OCC(C)(C)CO2.
What is the InChIKey of (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
The InChIKey is PQZHWZHONCVBSX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-7-14(8-15(11)12(2,3)4)16-9-13(5,6)10-17-14/h11H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane?
(3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane has a molecular weight of 241.37 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3,8,8-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 130396673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).