(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane

C11H21NO — CID 23279803

IUPAC(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane
SMILESC[C@H]1CCC[C@]2(C1)NC(C)(C)CO2
InChIInChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)12-10(2,3)8-13-11/h9,12H,4-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyPOLRDOQAYQXRGG-ONGXEEELSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds

About (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane

(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 23279803) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID23279803
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane
SMILESC[C@H]1CCC[C@]2(C1)NC(C)(C)CO2
InChIInChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)12-10(2,3)8-13-11/h9,12H,4-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyPOLRDOQAYQXRGG-ONGXEEELSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane (CID 23279803) is (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane is C[C@H]1CCC[C@]2(C1)NC(C)(C)CO2.
What is the InChIKey of (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is POLRDOQAYQXRGG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)12-10(2,3)8-13-11/h9,12H,4-8H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane?
(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 183.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 23279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).