3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane

C24H47NO3 — CID 68838027

IUPAC3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCCCC1COC2(CC(C)(CC)N(O)C(C)(CC)C2C)O1
InChIInChI=1S/C24H47NO3/c1-7-10-11-12-13-14-15-16-17-21-18-27-24(28-21)19-22(5,8-2)25(26)23(6,9-3)20(24)4/h20-21,26H,7-19H2,1-6H3
InChIKeyYYBHXIIETFREFP-UHFFFAOYSA-N
MW397.64 g/mol
LogP6.70
Rot. Bonds11

About 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane

3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 68838027) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID68838027
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCCCC1COC2(CC(C)(CC)N(O)C(C)(CC)C2C)O1
InChIInChI=1S/C24H47NO3/c1-7-10-11-12-13-14-15-16-17-21-18-27-24(28-21)19-22(5,8-2)25(26)23(6,9-3)20(24)4/h20-21,26H,7-19H2,1-6H3
InChIKeyYYBHXIIETFREFP-UHFFFAOYSA-N
XLogP6.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 68838027) is 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane is CCCCCCCCCCC1COC2(CC(C)(CC)N(O)C(C)(CC)C2C)O1.
What is the InChIKey of 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YYBHXIIETFREFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-7-10-11-12-13-14-15-16-17-21-18-27-24(28-21)19-22(5,8-2)25(26)23(6,9-3)20(24)4/h20-21,26H,7-19H2,1-6H3.
What are the key properties of 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane?
3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 397.64 g/mol, XLogP of 6.70, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-7,9-diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68838027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).