3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane

C15H29NO3 — CID 68842482

IUPAC3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CC(C)(C)N(O)C(CC)(CC)C2)O1
InChIInChI=1S/C15H29NO3/c1-6-12-9-18-15(19-12)10-13(4,5)16(17)14(7-2,8-3)11-15/h12,17H,6-11H2,1-5H3
InChIKeyAPOINTGLDFRMMF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.33
Rot. Bonds3

About 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane

3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 68842482) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID68842482
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CC(C)(C)N(O)C(CC)(CC)C2)O1
InChIInChI=1S/C15H29NO3/c1-6-12-9-18-15(19-12)10-13(4,5)16(17)14(7-2,8-3)11-15/h12,17H,6-11H2,1-5H3
InChIKeyAPOINTGLDFRMMF-UHFFFAOYSA-N
XLogP3.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 68842482) is 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane is CCC1COC2(CC(C)(C)N(O)C(CC)(CC)C2)O1.
What is the InChIKey of 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is APOINTGLDFRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-12-9-18-15(19-12)10-13(4,5)16(17)14(7-2,8-3)11-15/h12,17H,6-11H2,1-5H3.
What are the key properties of 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 271.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68842482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).