(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane

C8H15NO2 — CID 96936602

IUPAC(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESC[C@H]1CNC[C@@]2(CCOC2)O1
InChIInChI=1S/C8H15NO2/c1-7-4-9-5-8(11-7)2-3-10-6-8/h7,9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPTBMPLQSWYVVMM-JGVFFNPUSA-N
MW157.21 g/mol
LogP0.15
Rot. Bonds

About (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane

(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 96936602) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID96936602
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESC[C@H]1CNC[C@@]2(CCOC2)O1
InChIInChI=1S/C8H15NO2/c1-7-4-9-5-8(11-7)2-3-10-6-8/h7,9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyPTBMPLQSWYVVMM-JGVFFNPUSA-N
XLogP0.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612
(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
10-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122462
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
2,2,6-trimethylmorpholine;hydrochloride
CID 172641070
acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118562479
6-methyl-5-oxa-2-azaspiro[3.5]nonane
CID 171035899
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
2-ethyl-2,6-dimethylmorpholine
CID 65102213
(2R,6R)-2-(difluoromethyl)-2,6-dimethylmorpholine
CID 125424449
(2R)-2,6,6-trimethyl-1,4-oxazepane
CID 177088964
2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
CID 139343385

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 96936602) is (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane is C[C@H]1CNC[C@@]2(CCOC2)O1.
What is the InChIKey of (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is PTBMPLQSWYVVMM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-4-9-5-8(11-7)2-3-10-6-8/h7,9H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 157.21 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 96936602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).