2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane

C16H31NO — CID 114497355

IUPAC2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1(C)CNCC2(CC(C)(C)CC(C)(C)C2)O1
InChIInChI=1S/C16H31NO/c1-7-15(6)11-17-12-16(18-15)9-13(2,3)8-14(4,5)10-16/h17H,7-12H2,1-6H3
InChIKeyRLNGOBJOQKJMFM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds1

About 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane

2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 114497355) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID114497355
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1(C)CNCC2(CC(C)(C)CC(C)(C)C2)O1
InChIInChI=1S/C16H31NO/c1-7-15(6)11-17-12-16(18-15)9-13(2,3)8-14(4,5)10-16/h17H,7-12H2,1-6H3
InChIKeyRLNGOBJOQKJMFM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497305
ethane;2-ethyl-2,6,6-trimethylmorpholine
CID 143725560
2,2,6-triethyl-6-methylmorpholine
CID 114494557
2-ethyl-2,8,11-trimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 114497312
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688
2,2-diethyl-6-methyl-6-(2-methylpropyl)morpholine
CID 114494575
2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497172
6-ethyl-6-methylspiro[morpholine-2,13'-tricyclo[8.2.1.03,8]trideca-3,5,7-triene]
CID 114497297
2-ethyl-2,6-dimethylmorpholine
CID 65102213
2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
CID 114497122
2,2,6-trimethyl-6-pentylmorpholine
CID 80558946
7-methyl-7-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211245

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane (CID 114497355) is 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane is CCC1(C)CNCC2(CC(C)(C)CC(C)(C)C2)O1.
What is the InChIKey of 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is RLNGOBJOQKJMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-15(6)11-17-12-16(18-15)9-13(2,3)8-14(4,5)10-16/h17H,7-12H2,1-6H3.
What are the key properties of 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane?
2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 253.43 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,8,8,10,10-pentamethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 114497355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).