(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol

C9H17NO2 — CID 58697518

IUPAC(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol
SMILESCN1CC[C@@]2(CCOC2)[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-9(8(11)6-10)3-5-12-7-9/h8,11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyBJJVPCWXSKMHQA-IUCAKERBSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds

About (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 58697518) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID58697518
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol
SMILESCN1CC[C@@]2(CCOC2)[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-9(8(11)6-10)3-5-12-7-9/h8,11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyBJJVPCWXSKMHQA-IUCAKERBSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol (CID 58697518) is (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol is CN1CC[C@@]2(CCOC2)[C@@H](O)C1.
What is the InChIKey of (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is BJJVPCWXSKMHQA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-4-2-9(8(11)6-10)3-5-12-7-9/h8,11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 58697518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).